data_1k0t_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 1k0t _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 core ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HD13 ' A' ' 68' ' ' LEU . 1.2 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.974 -0.38 . . . . 2.7799999999999998 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 3.1400000000000001 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.6299999999999999 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.8999999999999999 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 4.1900000000000004 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.9299999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 9' ' ' THR . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB2' HG13 ' A' ' 38' ' ' ILE . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.82999999999999996 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 2.27 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 111.046 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.9399999999999999 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 3.8399999999999999 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.72 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 39' ' ' ALA . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.8300000000000001 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 3.6400000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 109.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.75 108.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.6000000000000001 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.6699999999999999 109.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 41' ' ' SER . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 3.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 2.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.3100000000000001 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 3.5800000000000001 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.8400000000000001 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.92000000000000004 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.0800000000000001 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 1.3100000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 2.46 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.7800000000000002 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.53 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.58999999999999997 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.69999999999999996 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.486 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.71 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.8600000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 2.0800000000000001 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.6400000000000001 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.71 111.0 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 4.0300000000000002 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 2.0699999999999998 110.418 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.7400000000000002 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.7999999999999998 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.8100000000000001 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.8900000000000001 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.8 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.2400000000000002 108.254 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.8899999999999997 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 6.0300000000000002 110.267 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.8500000000000001 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.52 110.381 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.6099999999999999 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.7999999999999998 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 5.5300000000000002 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2000000000000002 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 4.2800000000000002 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' PHE . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 4.2300000000000004 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.2199999999999998 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 6.8099999999999996 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 6.0099999999999998 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.6299999999999999 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 5.0199999999999996 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 3' ' ' SER . 16.9 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 4.3099999999999996 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 3.5699999999999998 109.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.458 HG21 ' CB ' ' A' ' 56' ' ' ALA . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 4.4500000000000002 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.8399999999999999 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 2.71 109.347 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 3.5800000000000001 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.1600000000000001 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.8600000000000001 110.362 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65000000000000002 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 2.6699999999999999 109.344 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.3200000000000001 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.98 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.716 ' NE2' ' HG1' ' A' ' 55' ' ' THR . 2.6 pt20 -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2000000000000002 110.237 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.8500000000000001 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 39' ' ' ALA . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.9299999999999999 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 3.52 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8600000000000001 108.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3200000000000001 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 2.6000000000000001 109.237 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 25' ' ' LEU . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.4900000000000002 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 2.1200000000000001 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.7400000000000002 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 4.9000000000000004 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 1.95 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.3400000000000001 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.1499999999999999 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.9299999999999999 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.26 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 2.0099999999999998 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.4299999999999997 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.1699999999999999 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.92000000000000004 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.81000000000000005 110.277 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 2.1600000000000001 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 1.6100000000000001 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 2.1200000000000001 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 3.1099999999999999 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.8300000000000001 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 4.2300000000000004 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.8100000000000001 110.429 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.9300000000000002 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 2.3900000000000001 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 4.25 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 2.3900000000000001 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.6699999999999999 108.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 6.3899999999999997 109.234 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 5.5 110.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.3700000000000001 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.0199999999999996 110.263 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.716 ' HG1' ' NE2' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.9700000000000002 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 4' ' ' VAL . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.48 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.47 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.6800000000000002 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 6.0 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.2699999999999996 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 4.2300000000000004 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.9900000000000002 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.5800000000000001 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 7.2300000000000004 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 6.5700000000000003 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 6.2400000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.7599999999999998 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.5999999999999996 109.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.037 -0.357 . . . . 2.9399999999999999 110.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 3.9399999999999999 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 4.0300000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.7999999999999998 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 3.7799999999999998 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.513 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 2.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 3.02 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.1799999999999999 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.1699999999999999 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 3.3900000000000001 110.356 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.3 pt20 -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.3300000000000001 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.71 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 HG23 ' CB ' ' A' ' 39' ' ' ALA . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.8999999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.8300000000000001 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2000000000000002 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 2.6000000000000001 108.261 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 2.04 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.8999999999999999 109.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.5600000000000001 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 25' ' ' LEU . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 3.5499999999999998 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 2.2599999999999998 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 4.4800000000000004 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 1.6200000000000001 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.60999999999999999 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.0700000000000001 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.8700000000000001 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.1899999999999999 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.76 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.9199999999999999 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.51 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.58999999999999997 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54000000000000004 110.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.8600000000000001 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.5900000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.8200000000000001 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 3.02 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 40' ' ' SER . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 2.1600000000000001 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 8.0600000000000005 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 2.0699999999999998 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.97 108.276 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 4.2400000000000002 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 2.23 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.9299999999999999 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 7.5300000000000002 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 6.0999999999999996 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.3300000000000001 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.9199999999999999 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.324 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.51 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.6699999999999999 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 3.3700000000000001 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 3.8199999999999998 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 3.4500000000000002 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.8300000000000001 109.957 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.6799999999999997 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 4.4699999999999998 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.96 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 5.0300000000000002 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' TYR . 80.9 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 4.1299999999999999 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.379 . . . . 3.3999999999999999 109.978 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 68' ' ' LEU . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 3.8599999999999999 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 6.5800000000000001 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 4.04 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 3.6899999999999999 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 61' ' ' PHE . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.8200000000000001 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.82999999999999996 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.259 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.1399999999999999 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 3.1400000000000001 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.1499999999999999 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 1.8500000000000001 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 2.1299999999999999 109.357 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 4.7400000000000002 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 2.2200000000000002 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.97 108.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.2599999999999998 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 2.5299999999999998 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.5700000000000003 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 3.04 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.2200000000000002 109.329 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 3.25 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.76 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.60999999999999999 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.3300000000000001 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 1.49 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.8400000000000001 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 4.3399999999999999 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.8799999999999999 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.81000000000000005 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.70999999999999996 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.522 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 1.77 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.8500000000000001 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.474 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.3799999999999999 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.6400000000000001 110.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 2.3500000000000001 111.049 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.96 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 2.5 110.423 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.4399999999999999 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.1699999999999999 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.8499999999999996 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.72 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.9900000000000002 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 7.4500000000000002 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.5800000000000001 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.7799999999999998 110.389 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.286 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.46 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.0499999999999998 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 4.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.1800000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 3.5600000000000001 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 3' ' ' SER . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 4.0700000000000003 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.7800000000000002 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 7.0700000000000003 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 4.8300000000000001 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 5.3899999999999997 109.369 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.54 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 4.0300000000000002 109.245 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.003 -0.369 . . . . 3.6800000000000002 110.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 3.2400000000000002 109.291 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 4.0899999999999999 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 2.75 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 4.0300000000000002 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.0499999999999998 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' THR . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.8200000000000001 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66000000000000003 108.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 3.2799999999999998 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.5800000000000001 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.9500000000000002 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.4100000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.8 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 39' ' ' ALA . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 2.0499999999999998 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 4.7300000000000004 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.95 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.79 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4000000000000004 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.559 ' CG1' ' O ' ' A' ' 24' ' ' VAL . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 2.5600000000000001 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.3500000000000001 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.429 ' N ' ' SD ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 7.1200000000000001 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.491 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.78 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.90000000000000002 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 1.8700000000000001 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 2.6200000000000001 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 6.8600000000000003 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.6799999999999999 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.72999999999999998 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.64000000000000001 110.308 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.5800000000000001 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 1.7 109.31 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.49 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 2.5 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 2.1800000000000002 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 4.0800000000000001 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' HG22 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.8700000000000001 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.4700000000000002 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.8399999999999999 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 2.0099999999999998 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.8500000000000001 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.71 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.8799999999999999 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 8.2899999999999991 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 7.0599999999999996 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.4100000000000001 108.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.2300000000000004 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.5699999999999998 110.391 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' CYS . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.8999999999999999 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7400000000000002 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.6299999999999999 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.4500000000000002 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 3.8799999999999999 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 63' ' ' SER . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 3.9300000000000002 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 5.5700000000000003 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 7.3600000000000003 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' HG22 ' A' ' 64' ' ' ILE . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 5.3700000000000001 110.291 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 4.4800000000000004 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 4.6299999999999999 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 4.5599999999999996 109.274 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.013 -0.365 . . . . 2.5 110.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 3.29 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 3.71 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 3.1299999999999999 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 3.4700000000000002 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.454 ' CB ' ' HB2' ' A' ' 61' ' ' PHE . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 1.71 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66000000000000003 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 3.1099999999999999 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.3600000000000001 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 4.0800000000000001 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.8500000000000001 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 2.3199999999999998 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 2.3100000000000001 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 3.54 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.8899999999999999 108.364 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.6299999999999999 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.23 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.1600000000000001 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 2.77 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 2.02 109.342 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.9900000000000002 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 3.3999999999999999 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 1.74 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.83999999999999997 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6000000000000001 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 1.8700000000000001 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.8100000000000001 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.8700000000000001 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 1.5700000000000001 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.90000000000000002 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.68999999999999995 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 1.8999999999999999 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.6699999999999999 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 2.3199999999999998 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 2.5600000000000001 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 3.02 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.8200000000000003 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 2.1499999999999999 110.422 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.1400000000000001 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.1400000000000001 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.96 109.268 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.9099999999999999 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.2999999999999998 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 7.3499999999999996 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' GLU . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.7300000000000004 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1600000000000001 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 3.6499999999999999 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' OG1' ' A' ' 55' ' ' THR . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.1800000000000002 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.6399999999999999 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.7599999999999998 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 4.6100000000000003 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 4.4199999999999999 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 4.0700000000000003 109.247 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 4.3200000000000003 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 7.9199999999999999 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 5.1100000000000003 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.79 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 4.75 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 4.3899999999999997 109.289 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.033 -0.358 . . . . 2.77 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 3.6400000000000001 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 4.46 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.9500000000000002 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 3.7200000000000002 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.618 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.579 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.0099999999999998 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' CB ' HG13 ' A' ' 38' ' ' ILE . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66000000000000003 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 3.4399999999999999 109.344 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.6299999999999999 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 2.1800000000000002 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.4500000000000002 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.3100000000000001 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 1.75 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' CG2' ' CB ' ' A' ' 39' ' ' ALA . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 2.1200000000000001 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 4.8499999999999996 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 2.04 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.6699999999999999 108.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.6899999999999999 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.3700000000000001 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 2.8599999999999999 109.281 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 1.8500000000000001 109.296 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.6200000000000001 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 3.79 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 1.6899999999999999 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.89000000000000001 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.8999999999999999 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 1.26 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.6899999999999999 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 5.0899999999999999 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.62 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.57999999999999996 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 1.8899999999999999 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' CB ' ' CG2' ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 1.6299999999999999 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 3.0600000000000001 110.031 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.8700000000000001 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 2.0600000000000001 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 7.2300000000000004 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 2.3900000000000001 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.8999999999999999 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.8300000000000001 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 2.6000000000000001 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.0800000000000001 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 7.2699999999999996 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.9400000000000004 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.3799999999999999 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 3.8399999999999999 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 55' ' ' THR . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.3300000000000001 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.47 108.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.466 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 3.1200000000000001 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 5.2199999999999998 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 4.3499999999999996 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 3.73 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.7400000000000002 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.9800000000000004 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.9100000000000001 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 4.3200000000000003 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 5.4000000000000004 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' TYR . 1.4 mm? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.8900000000000001 109.242 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 3.21 110.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 5' ' ' LYS . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 3.96 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 4.2000000000000002 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 3.23 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 4.5800000000000001 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.526 ' HB ' ' CG ' ' A' ' 61' ' ' PHE . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 1.8600000000000001 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76000000000000001 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.4500000000000002 109.284 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.1899999999999999 110.997 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.3799999999999999 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.8999999999999999 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 1.98 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 39' ' ' ALA . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 2.0099999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.8799999999999999 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' ALA . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 2.6099999999999999 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.8999999999999999 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.1400000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.3300000000000001 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.21 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.1499999999999999 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.5899999999999999 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG2' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.6200000000000001 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.1399999999999999 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.96999999999999997 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 1.1399999999999999 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 1.9299999999999999 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 4.6799999999999997 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 2.1499999999999999 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.79000000000000004 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81000000000000005 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 1.51 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.6399999999999999 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 1.8500000000000001 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 2.5600000000000001 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.401 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 2.4100000000000001 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 5.29 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 2.4399999999999999 110.42 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.5299999999999998 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.8099999999999996 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.3300000000000001 108.282 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 4.96 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.7599999999999998 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.6299999999999999 108.347 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 7.0800000000000001 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.9900000000000002 110.369 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.3199999999999998 108.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 3.4900000000000002 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' N ' ' OG1' ' A' ' 55' ' ' THR . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 3.29 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 7.0 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.526 ' CG ' ' HB ' ' A' ' 9' ' ' THR . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 6.0099999999999998 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 61' ' ' PHE . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 5.5099999999999998 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.9900000000000002 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 6.7199999999999998 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 5.9199999999999999 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 4.6600000000000001 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 5.7800000000000002 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.7200000000000002 109.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.7 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.996 -0.372 . . . . 2.7000000000000002 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 4.3799999999999999 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 4.3300000000000001 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 3.6000000000000001 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 3.79 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.3199999999999998 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 2.0600000000000001 110.406 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.1899999999999999 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' A' ' 10' ' ' CYS . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 2.3300000000000001 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.5700000000000001 110.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 4.5700000000000003 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.1600000000000001 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 1.8300000000000001 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 1.96 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.4500000000000002 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.6899999999999999 108.314 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.52 109.35 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 2.71 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 2.04 109.313 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 110.268 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 3.4100000000000001 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.8500000000000001 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.82999999999999996 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.0900000000000001 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 1.3 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 2.4100000000000001 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 4.1699999999999999 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.9199999999999999 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.62 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 1.6100000000000001 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 1.6200000000000001 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6399999999999999 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.6699999999999999 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 2.2999999999999998 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 5.4400000000000004 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 2.52 110.423 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.1600000000000001 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.0699999999999998 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 2.1299999999999999 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 4.21 109.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 2.29 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.9900000000000002 108.32 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 6.7999999999999998 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 6.2699999999999996 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.0899999999999999 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 3.73 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.9399999999999999 108.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 3.0899999999999999 110.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 61' ' ' PHE . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.6800000000000002 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 3.4900000000000002 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' PHE . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 4.1699999999999999 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.6699999999999999 109.994 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' C ' ' HG2' ' A' ' 65' ' ' ARG . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 7.1600000000000001 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.528 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.7300000000000004 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 4.3499999999999996 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 5.6100000000000003 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.1399999999999997 109.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.023 -0.362 . . . . 3.02 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 3.5800000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.6499999999999999 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' O ' ' CG2' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.8900000000000001 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 3.3399999999999999 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3300000000000001 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.539 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.77 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65000000000000002 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 2.46 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.1499999999999999 108.268 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 3.52 110.389 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.1499999999999999 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.8700000000000001 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 3.7799999999999998 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.96 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.9299999999999999 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.6899999999999999 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.6499999999999999 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' ASP . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.5299999999999998 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 2.4500000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 2.0800000000000001 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' SER . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.9699999999999998 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.96 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.1799999999999999 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.6100000000000001 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.6699999999999999 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.9399999999999999 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 2.4100000000000001 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 7.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 1.53 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.73999999999999999 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.73999999999999999 110.371 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.75 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.77 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.4300000000000002 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 2.7799999999999998 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.7200000000000002 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 5.6699999999999999 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 2.3799999999999999 110.466 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.8500000000000001 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.6699999999999999 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 2.2000000000000002 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 3.8900000000000001 109.226 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.4399999999999999 108.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.5800000000000001 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.79 110.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.21 108.268 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.4399999999999999 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 3.2000000000000002 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.97 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.9199999999999999 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 4.5800000000000001 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.8700000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 5.0999999999999996 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.2999999999999998 109.278 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 4.1900000000000004 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 9.1400000000000006 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 4.4000000000000004 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 6.7400000000000002 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 5.4199999999999999 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 3' ' ' SER . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.8999999999999999 109.349 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.011 -0.366 . . . . 2.9500000000000002 110.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.71 109.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.6099999999999999 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 3.9100000000000001 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.49 ' CB ' ' HB2' ' A' ' 61' ' ' PHE . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.97 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.1100000000000001 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 2.6699999999999999 109.339 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.3400000000000001 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 4.04 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.4900000000000002 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 2.52 109.336 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 4.5700000000000003 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.8400000000000001 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.8100000000000001 108.309 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.6699999999999999 110.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 4.0300000000000002 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.6699999999999999 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 2.6600000000000001 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.3300000000000001 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 3.79 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 1.72 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.68000000000000005 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.623 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.0800000000000001 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.8400000000000001 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 1.1899999999999999 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 2.29 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 4.6799999999999997 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.49 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.57999999999999996 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.69999999999999996 110.287 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.77 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.6899999999999999 109.366 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 2.0299999999999998 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 3.0800000000000001 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 2.27 110.997 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 4.1799999999999997 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.381 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.6400000000000001 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.9700000000000002 109.385 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.8899999999999999 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.1800000000000002 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ARG . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 8.7400000000000002 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 6.6100000000000003 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.9399999999999999 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.4100000000000001 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.73 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.6299999999999999 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' PHE . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 3.4900000000000002 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.3099999999999996 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 4.2400000000000002 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 63' ' ' SER . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 3.8300000000000001 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 5.2599999999999998 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 7.3499999999999996 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 5.5499999999999998 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.9100000000000001 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 4.4500000000000002 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 109.255 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.995 -0.372 . . . . 3.3399999999999999 109.995 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 4.2699999999999996 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 3.46 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 3.5899999999999999 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 3.8999999999999999 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2000000000000002 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.531 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 1.76 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91000000000000003 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 2.48 109.324 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.4299999999999999 110.996 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.8700000000000001 110.367 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.1699999999999999 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 2.1099999999999999 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 4.6299999999999999 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.27 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.6200000000000001 108.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.3799999999999999 110.951 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.5499999999999998 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4000000000000004 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 25' ' ' LEU . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 4.0300000000000002 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 24' ' ' VAL . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 2.02 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 3.48 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.8500000000000001 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.85999999999999999 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.1599999999999999 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.1299999999999999 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 1.1899999999999999 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 2.2999999999999998 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 4.1299999999999999 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.71 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.72999999999999998 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.67000000000000004 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.76 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 1.71 109.363 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.8799999999999999 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.8900000000000001 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 2.5899999999999999 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.9300000000000002 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 2.4399999999999999 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.6299999999999999 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.2200000000000002 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 2.02 108.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 4.2300000000000004 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.76 111.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1000000000000001 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 6.1799999999999997 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' CD ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 6.1500000000000004 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.3799999999999999 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.1799999999999997 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 4.1699999999999999 110.336 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' O ' ' CD2' ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.2400000000000002 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 2.02 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.8700000000000001 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 5.2199999999999998 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.71 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 4.2800000000000002 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 5.6100000000000003 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.488 ' C ' ' O ' ' A' ' 63' ' ' SER . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 7.3300000000000001 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 4.5 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.9399999999999999 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 4.2400000000000002 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 1.5 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 4.25 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.012 -0.366 . . . . 3.6699999999999999 110.012 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 4.7699999999999996 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 5.6900000000000004 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.48 ' CD1' HD23 ' A' ' 25' ' ' LEU . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 8.8200000000000003 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 5.2400000000000002 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.6299999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 57' ' ' CYS . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 2.3999999999999999 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.3500000000000001 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 2.8599999999999999 109.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.8300000000000001 108.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 3.8399999999999999 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.97 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 39' ' ' ALA . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.4300000000000002 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 3.0299999999999998 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.3999999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 2.48 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2000000000000002 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD11 ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 4.2300000000000004 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.0599999999999996 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' ' SG ' ' A' ' 20' ' ' CYS . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 3.48 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.1400000000000001 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 4.9299999999999997 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.8 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.83999999999999997 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.7400000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.73 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 2.3599999999999999 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 4.3099999999999996 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 2.7400000000000002 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.23 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 2.1600000000000001 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 2.3799999999999999 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.9399999999999999 109.989 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 4.0599999999999996 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 4.1799999999999997 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 2.2200000000000002 110.427 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.7999999999999998 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.6200000000000001 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 2.0299999999999998 108.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 3.8100000000000001 109.31 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.96 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' LYS . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.5499999999999998 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 7.6399999999999997 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' C ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.8700000000000001 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.8500000000000001 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 3.9500000000000002 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' OG1' ' A' ' 55' ' ' THR . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.3100000000000001 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.474 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 108.222 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 5.6299999999999999 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 6.8399999999999999 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 5.5300000000000002 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 4.29 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 6.21 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 7.7300000000000004 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 6.8600000000000003 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 7.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CD1' HG13 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 6.0499999999999998 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 5.2000000000000002 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.056 -0.35 . . . . 7.4800000000000004 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' A' ' 3' ' ' SER . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.9300000000000002 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 9.0500000000000007 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 3.4300000000000002 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 4.25 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 2.21 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.90000000000000002 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 2.5800000000000001 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.5600000000000001 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.6799999999999999 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 5.0199999999999996 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 55' ' ' THR . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.8700000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 2.4500000000000002 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' GLN . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 2.21 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 3.27 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.8500000000000001 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.9399999999999999 108.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.8999999999999999 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.0599999999999996 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG2' HG22 ' A' ' 44' ' ' THR . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.1299999999999999 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 2.1800000000000002 109.248 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 3.6299999999999999 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.547 ' CG2' ' CG2' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.1499999999999999 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.95999999999999996 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.4199999999999999 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1000000000000001 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.3500000000000001 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 2.7000000000000002 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 4.5 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 2.4500000000000002 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.05 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.1399999999999999 110.295 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.547 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.98 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.9399999999999999 109.309 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.5 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 2.5899999999999999 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 2.1600000000000001 111.032 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.6600000000000001 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' CG2' ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 2.1200000000000001 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.0099999999999998 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.1699999999999999 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.96 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.8900000000000001 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.8600000000000001 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.8999999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 6.04 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 6.9100000000000001 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.0099999999999998 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.6400000000000001 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.6399999999999999 108.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.7800000000000002 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 4.3399999999999999 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 4.2999999999999998 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.9800000000000004 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 7.54 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 7.1900000000000004 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 7.5 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 11.17 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 4.7300000000000004 109.323 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.432 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.057 -0.349 . . . . 3.0 110.057 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 3.6099999999999999 109.302 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.7200000000000002 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' N ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 5.6900000000000004 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 3.4700000000000002 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.0600000000000001 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.6399999999999999 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.83999999999999997 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 3.0299999999999998 109.251 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 4.1299999999999999 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.7 pt20 -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.1600000000000001 110.347 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 1.96 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 2.4700000000000002 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.8799999999999999 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 2.5899999999999999 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.8500000000000001 108.244 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 3.2400000000000002 109.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 3.96 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 2.0699999999999998 109.293 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.6800000000000002 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 3.8300000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.71 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.76000000000000001 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.0900000000000001 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 1.24 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 1.9399999999999999 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 7.0999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 1.77 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.59999999999999998 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.81999999999999995 110.318 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.575 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.8700000000000001 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.6200000000000001 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.6100000000000001 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.9399999999999999 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 2.4199999999999999 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 4.0800000000000001 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.98 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.0899999999999999 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 3.0 108.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 7.4500000000000002 109.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 3.3399999999999999 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 51' ' ' LYS . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.5699999999999998 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 11.65 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.8599999999999994 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.1500000000000004 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 3.2999999999999998 110.419 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.6699999999999999 109.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.6499999999999999 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.3700000000000001 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 4.0499999999999998 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 3.48 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 3.75 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.6399999999999997 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 8.2100000000000009 109.28 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 6.0099999999999998 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.432 ' CA ' ' HB2' ' A' ' 3' ' ' SER . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 4.0499999999999998 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 4.6100000000000003 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 5.0599999999999996 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 68' ' ' LEU . 10.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.01 -0.367 . . . . 2.8300000000000001 110.01 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 3.23 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.5299999999999998 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 3.3100000000000001 109.341 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 4.1200000000000001 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.523 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 1.74 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.80000000000000004 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 3.3900000000000001 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.3100000000000001 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 3.5800000000000001 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.2400000000000002 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.8300000000000001 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 2.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 3.8199999999999998 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.95 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 2.0299999999999998 108.289 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 2.6200000000000001 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.4399999999999999 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 3.5499999999999998 109.263 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 2.2200000000000002 109.317 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.1699999999999999 110.275 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 3.6600000000000001 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.6399999999999999 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.88 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.0499999999999998 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 1.26 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.9399999999999999 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.3799999999999999 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 1.8400000000000001 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.84999999999999998 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.67000000000000004 110.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 1.8999999999999999 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.5700000000000001 109.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.72 110.031 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 2.54 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 2.0499999999999998 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 4.8799999999999999 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.97 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.1499999999999999 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.1299999999999999 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.7 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 4.1500000000000004 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.6000000000000001 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.9399999999999999 108.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.9400000000000004 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 6.2300000000000004 110.341 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.5299999999999998 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.46 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.7799999999999998 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.4300000000000002 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.6200000000000001 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 5.4299999999999997 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.6600000000000001 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.478 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 3.6000000000000001 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.4100000000000001 109.306 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.585 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.9400000000000004 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 7.46 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 6.8200000000000003 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 4.2400000000000002 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 4.2800000000000002 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 3' ' ' SER . 41.1 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 4.4100000000000001 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.401 ' CA ' ' HB2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.943 -0.391 . . . . 4.8200000000000003 109.943 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 3.6600000000000001 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 4.6500000000000004 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 3.4399999999999999 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 3.7200000000000002 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.8999999999999999 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.429 HG22 ' CB ' ' A' ' 7' ' ' TYR . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 2.0800000000000001 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.84999999999999998 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 2.7400000000000002 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 3.7000000000000002 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 55' ' ' THR . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.8199999999999998 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 56' ' ' ALA . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 2.3999999999999999 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 2.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 4.2599999999999998 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.3100000000000001 109.27 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 22' ' ' LEU . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.77 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.8300000000000001 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 20' ' ' CYS . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 2.8399999999999999 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.5300000000000002 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.8799999999999999 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.99 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.0499999999999998 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 3.4399999999999999 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 1.54 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.79000000000000004 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.1400000000000001 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 1.45 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 2.29 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.8700000000000001 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.54 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.71999999999999997 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.71999999999999997 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.498 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.8100000000000001 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.5800000000000001 109.274 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.6899999999999999 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.8999999999999999 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 2.5499999999999998 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 5.2800000000000002 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 2.0499999999999998 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.5899999999999999 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.1499999999999999 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.7599999999999998 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.8799999999999999 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' LYS . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.2599999999999998 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.48 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 12.029999999999999 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.2400000000000002 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 2.7999999999999998 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.4399999999999999 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.7 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 4.4400000000000004 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.4399999999999999 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 4.5800000000000001 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 4.2699999999999996 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.96 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 9.1500000000000004 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.7800000000000002 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 4.4800000000000004 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 5.8099999999999996 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 3.5899999999999999 109.309 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.973 -0.38 . . . . 2.9399999999999999 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 5' ' ' LYS . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 3.5099999999999998 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 5.29 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.79 109.244 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 3.29 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 1.9399999999999999 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.70999999999999996 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 12' ' ' GLY . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 2.7200000000000002 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' HD11 ' A' ' 11' ' ' ILE . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.4099999999999999 110.959 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 2.04 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3199999999999998 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 3.2400000000000002 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 2.4199999999999999 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.6200000000000001 109.218 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.8500000000000001 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.1899999999999999 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.4300000000000002 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 5.8300000000000001 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.493 ' CG2' HG22 ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.9099999999999999 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.72999999999999998 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.4900000000000002 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 1.96 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 2.1600000000000001 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 4.1299999999999999 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.6699999999999999 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79000000000000004 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.493 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.6799999999999999 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.9199999999999999 109.314 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 2.1400000000000001 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 2.1699999999999999 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 3.1299999999999999 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.9299999999999999 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.6200000000000001 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.9700000000000002 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.8200000000000001 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 4.0099999999999998 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 2.1299999999999999 111.024 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 7.0499999999999998 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 7.4199999999999999 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.02 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.5199999999999996 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 3.2799999999999998 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.3799999999999999 109.231 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.444 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.8799999999999999 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.8900000000000001 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 3.4399999999999999 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 3.9399999999999999 109.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.4100000000000001 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 7.1699999999999999 109.202 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 4.4100000000000001 110.29 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 4.2800000000000002 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 4.4100000000000001 111.034 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 4.0 109.288 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.368 . . . . 2.5699999999999998 110.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.6099999999999999 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 4.7699999999999996 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 3.2999999999999998 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 4.4800000000000004 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.99 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91000000000000003 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 2.3500000000000001 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.1399999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.3600000000000001 108.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.3200000000000003 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' CG2' ' A' ' 55' ' ' THR . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.9299999999999999 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 2.9199999999999999 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 4.0599999999999996 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.5699999999999998 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 2.5499999999999998 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.8500000000000001 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 2.6000000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.2800000000000002 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 2.8799999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 2.2400000000000002 109.264 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.9399999999999999 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 3.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.5700000000000001 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.69999999999999996 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.6499999999999999 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8999999999999999 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 1.6699999999999999 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 2.7200000000000002 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 7.2400000000000002 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 2.23 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.90000000000000002 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.93999999999999995 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 2.1099999999999999 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.72 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.6499999999999999 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 4.2300000000000004 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 3.1800000000000002 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 5.0800000000000001 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 2.1600000000000001 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.0300000000000002 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.5600000000000001 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 2.3399999999999999 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 4.6100000000000003 109.28 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.6400000000000001 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.8399999999999999 108.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.9699999999999998 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 6.3200000000000003 110.216 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.4700000000000002 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 3.0499999999999998 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.1000000000000001 109.341 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.1299999999999999 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 6.3600000000000003 110.971 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 5.7199999999999998 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 3.6800000000000002 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.3600000000000003 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 5.4699999999999998 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.9299999999999997 109.338 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 6.3300000000000001 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 4.2300000000000004 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 4.9299999999999997 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 26.1 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.992 -0.373 . . . . 5.6799999999999997 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.472 ' CG2' HD21 ' A' ' 25' ' ' LEU . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 3.8799999999999999 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.6800000000000002 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1899999999999999 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 3.5499999999999998 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.444 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.8999999999999999 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.72999999999999998 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 2.7599999999999998 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.411 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.6699999999999999 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.411 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 5.2599999999999998 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 2.4199999999999999 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 2.3100000000000001 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 3.1699999999999999 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 2.0099999999999998 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 2.1299999999999999 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.74 111.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 2.3100000000000001 109.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.2999999999999998 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 4.3700000000000001 109.293 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 4' ' ' VAL . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 2.0499999999999998 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.1200000000000001 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 3.6699999999999999 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.6599999999999999 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.63 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.1100000000000001 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.0699999999999998 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 1.1699999999999999 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 2.2999999999999998 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.8599999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.8300000000000001 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78000000000000003 110.349 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.529 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 1.76 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 1.6000000000000001 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 1.8 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 3.0800000000000001 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 2.0800000000000001 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 3.6499999999999999 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 2.1600000000000001 110.409 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.6699999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.4500000000000002 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 5.2199999999999998 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 3.0699999999999998 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.1800000000000002 108.312 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 6.4699999999999998 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 6.7999999999999998 110.28 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.6600000000000001 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.8999999999999999 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.269 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.8500000000000001 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.3999999999999999 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 4.2800000000000002 110.414 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.1600000000000001 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 4.3200000000000003 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 4.8899999999999997 109.267 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 4.4199999999999999 110.028 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 6.5300000000000002 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 5.1299999999999999 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.9900000000000002 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 6.8799999999999999 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 5.5199999999999996 109.286 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.99 -0.374 . . . . 2.9399999999999999 109.99 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 3.73 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 5.2199999999999998 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 2.8500000000000001 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.71 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.0699999999999998 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 9' ' ' THR . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 2.0899999999999999 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 2.9700000000000002 109.297 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.3200000000000001 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 3.6800000000000002 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.0600000000000001 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.97 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 2.1699999999999999 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 3.6099999999999999 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.6200000000000001 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ALA . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 2.6899999999999999 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 2.1499999999999999 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 2.7000000000000002 109.306 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.8100000000000001 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 3.0099999999999998 109.332 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CA ' ' OG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 3.98 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.9199999999999999 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 3.9700000000000002 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 1.75 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.68999999999999995 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 1.3100000000000001 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 2.54 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 4.21 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 1.5700000000000001 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.59999999999999998 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56000000000000005 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 1.8700000000000001 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 1.9099999999999999 109.283 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 3.2000000000000002 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.405 ' OG ' ' CA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 2.73 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.96 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 4.4500000000000002 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 2.1600000000000001 110.42 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.1899999999999999 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.3300000000000001 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.8899999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 4.7199999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.8700000000000001 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.3500000000000001 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 9.4499999999999993 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.85 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.29 108.318 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 5.0700000000000003 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 3.2999999999999998 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 3.1099999999999999 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.9399999999999999 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.8599999999999999 111.043 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.7999999999999998 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.7799999999999998 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 3.4100000000000001 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 3.8500000000000001 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 5.1200000000000001 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 7.2800000000000002 109.315 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 5.4800000000000004 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 4.2999999999999998 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.7000000000000002 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.092 -0.336 . . . . 3.0899999999999999 110.092 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 4.3300000000000001 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 4.4299999999999997 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 2.5800000000000001 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 3.6299999999999999 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.2400000000000002 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.502 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.8799999999999999 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81000000000000005 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 2.2400000000000002 109.319 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.3500000000000001 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 4.0199999999999996 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.1200000000000001 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 2.02 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 4.1299999999999999 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.6499999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 2.3500000000000001 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.7 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.4700000000000002 109.329 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.8899999999999997 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' ' OG ' ' A' ' 41' ' ' SER . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.2200000000000002 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 2.3199999999999998 109.333 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.3199999999999998 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.5499999999999998 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' CG2' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 2.2599999999999998 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.93999999999999995 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.1399999999999999 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.3399999999999999 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 1.1499999999999999 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 2.5800000000000001 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 4.6399999999999997 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 1.75 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.83999999999999997 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.75 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 1.8500000000000001 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.6799999999999999 109.285 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLU . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 2.02 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 3.2999999999999998 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 2.1499999999999999 111.036 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 4.4500000000000002 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 2.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.5299999999999998 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.97 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 3.7799999999999998 109.314 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.8500000000000001 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.3199999999999998 108.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.7799999999999994 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 6.4500000000000002 110.27 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.1800000000000002 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.4199999999999999 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 3.1800000000000002 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.9300000000000002 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.4399999999999999 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.7999999999999998 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.3900000000000001 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6000000000000001 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 4.5300000000000002 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 3.5899999999999999 109.29 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 5.3099999999999996 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.9000000000000004 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 6.1900000000000004 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 4.2300000000000004 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 4.75 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 4.79 109.359 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.957 -0.386 . . . . 3.6499999999999999 109.957 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 3.1800000000000002 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.7599999999999998 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.8900000000000001 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 4.3700000000000001 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 9' ' ' THR . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.7799999999999998 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.8300000000000001 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 5.4800000000000004 110.375 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' THR . 16.5 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.6899999999999999 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 2.6099999999999999 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 2.25 109.281 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 3.5299999999999998 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.8100000000000001 108.248 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 2.2599999999999998 109.284 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.2999999999999998 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 2.9500000000000002 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.2599999999999998 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.3700000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 3.4199999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.6399999999999999 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.69999999999999996 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.3300000000000001 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 1.4099999999999999 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.8500000000000001 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 4.4000000000000004 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.8500000000000001 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.79000000000000004 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78000000000000003 110.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.511 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.72 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 1.8400000000000001 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 1.5 110.048 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.456 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 2.6499999999999999 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 2.1499999999999999 110.996 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 3.3999999999999999 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 2.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.4100000000000001 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.7799999999999998 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 4.1100000000000003 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 2.1099999999999999 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.3700000000000001 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.9699999999999998 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 6.79 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.3100000000000001 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.2799999999999998 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 3.5299999999999998 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.8200000000000001 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 3.2000000000000002 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 4.0899999999999999 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.7599999999999998 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 3.75 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 3.7999999999999998 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 6.3099999999999996 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.9199999999999999 109.239 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 4.5800000000000001 110.289 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.9700000000000002 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 4.8399999999999999 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 4.3200000000000003 109.345 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.378 . . . . 3.1000000000000001 109.978 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 3.7400000000000002 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 3.4700000000000002 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 3.27 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 3.5499999999999998 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.0600000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.548 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 2.1099999999999999 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.93999999999999995 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 2.3799999999999999 109.299 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.3999999999999999 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 4.7300000000000004 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.9500000000000002 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 56' ' ' ALA . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 2.3599999999999999 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 3.7000000000000002 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 4.7300000000000004 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.3399999999999999 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 2.6099999999999999 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.9199999999999999 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 2.6299999999999999 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.4199999999999999 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' ' OG ' ' A' ' 41' ' ' SER . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 2.71 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 20' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.5800000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 6.9900000000000002 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 1.6799999999999999 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.81999999999999995 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.1100000000000001 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.0099999999999998 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 1.2 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 2.4900000000000002 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.3899999999999997 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 1.5 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.57999999999999996 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.57999999999999996 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.501 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.0800000000000001 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 1.6599999999999999 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 2.1099999999999999 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 2.1400000000000001 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.7799999999999998 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 5.0499999999999998 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 2.3599999999999999 110.418 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.96 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 4.3799999999999999 109.232 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 2.3500000000000001 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.2799999999999998 108.289 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 6.3799999999999999 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.8200000000000003 110.32 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.2999999999999998 108.322 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.1399999999999997 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 3.4900000000000002 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2000000000000002 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.97 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.6499999999999999 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 57' ' ' CYS . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 3.77 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.1900000000000004 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 4.4900000000000002 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 61' ' ' PHE . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.7599999999999998 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 4.3399999999999999 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 7.1900000000000004 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 6.3899999999999997 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 4.4000000000000004 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 5.0800000000000001 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.9399999999999999 109.291 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.964 -0.384 . . . . 2.8799999999999999 109.964 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 3.2400000000000002 109.34 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.6600000000000001 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.1899999999999999 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 4.1600000000000001 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 9' ' ' THR . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 2.02 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.97999999999999998 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 3.0699999999999998 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.4399999999999999 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 4.54 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 2.4700000000000002 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 2.1299999999999999 109.29 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 5.2400000000000002 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.8600000000000001 108.22 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.6400000000000001 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 2.5600000000000001 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.3099999999999996 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 2.3300000000000001 109.283 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 4.3899999999999997 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.7 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.66000000000000003 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 1.3999999999999999 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.8799999999999999 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 4.5599999999999996 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.97 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.55000000000000004 110.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 1.8100000000000001 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 1.73 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.99 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.2699999999999996 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.98 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 4.6900000000000004 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 2.75 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.6899999999999999 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 5.1299999999999999 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.6899999999999999 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.8900000000000001 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 8.5999999999999996 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 5.4800000000000004 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.8100000000000001 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.3899999999999997 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 2.75 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 2.2599999999999998 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.8199999999999998 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 5.25 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.2300000000000004 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 4.8200000000000003 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 3.6099999999999999 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.515 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.6299999999999999 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 9.1999999999999993 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.8600000000000003 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 6.0199999999999996 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 5.4500000000000002 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 4.5700000000000003 109.281 179.999 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.99 -0.374 . . . . 2.5800000000000001 109.99 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 3.9399999999999999 109.283 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 4.29 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.489 ' CD1' ' OG ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 3.4300000000000002 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 3.7200000000000002 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.3599999999999999 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 1.96 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.71999999999999997 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 2.2799999999999998 109.3 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.3200000000000001 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 4.2699999999999996 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.9199999999999999 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 2.27 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 109.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 3.8500000000000001 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.8200000000000001 109.281 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.77 108.304 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 2.6000000000000001 109.367 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.8300000000000001 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 2.9900000000000002 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.8799999999999999 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.4100000000000001 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 4.1799999999999997 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.74 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.68999999999999995 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.0700000000000001 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 1.24 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.77 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 5.9699999999999998 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.5700000000000001 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.56999999999999995 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.56999999999999995 110.258 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.8700000000000001 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 109.324 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.8100000000000001 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.79 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.77 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.6799999999999997 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 2.0800000000000001 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.1800000000000002 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.4100000000000001 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 2.1299999999999999 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 4.7199999999999998 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 2.3999999999999999 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.6099999999999999 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.93 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.119999999999999 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.5600000000000001 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.5899999999999999 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.8799999999999999 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.8600000000000001 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.6200000000000001 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 4.4800000000000004 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.0099999999999998 109.308 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 4.3600000000000003 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.5099999999999998 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 7.5599999999999996 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 4.5700000000000003 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 5.1600000000000001 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 4.5 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 3.98 109.317 -179.953 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.026 -0.361 . . . . 3.8399999999999999 110.026 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 3.6499999999999999 109.277 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 6.0099999999999998 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 4.8799999999999999 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 4.1500000000000004 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.525 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.9199999999999999 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.1299999999999999 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.4399999999999999 109.324 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.0800000000000001 111.025 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.46 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.4100000000000001 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 2.1800000000000002 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.441 ' CG2' ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 2.23 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 4.0599999999999996 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 2.0499999999999998 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.5900000000000001 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 2.8999999999999999 109.28 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.1100000000000003 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.7599999999999998 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.79 109.364 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 3.8599999999999999 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.8600000000000001 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.68000000000000005 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.5099999999999998 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 2.0800000000000001 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 3.0499999999999998 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.8399999999999999 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 2.1699999999999999 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.82999999999999996 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.78000000000000003 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 2.1699999999999999 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 2.0299999999999998 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.6499999999999999 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 2.23 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.79 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.9000000000000004 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 2.25 110.376 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.8900000000000001 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.5299999999999998 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 2.6499999999999999 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 4.9100000000000001 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 2.3599999999999999 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.1600000000000001 108.303 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 7.5599999999999996 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 5.46 110.281 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.9500000000000002 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.1600000000000001 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.54 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.3199999999999998 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.8100000000000001 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.3300000000000001 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 4.1600000000000001 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 4.6200000000000001 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 3.8900000000000001 109.249 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.5899999999999999 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 8.2699999999999996 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 5.7800000000000002 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 7.9000000000000004 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 8.9700000000000006 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.0800000000000001 109.331 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.004 -0.369 . . . . 2.7599999999999998 110.004 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 3.9900000000000002 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 4.1500000000000004 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 3.2599999999999998 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.7400000000000002 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.4500000000000002 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 2.0299999999999998 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 3.0699999999999998 109.299 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.5700000000000001 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 4.25 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.9 tt0 -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.72 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ALA . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 2.1299999999999999 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 4.04 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.1899999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.5600000000000001 108.269 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.6200000000000001 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 3.5699999999999998 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.3300000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.8900000000000001 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 2.54 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 4.3300000000000001 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.02 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.6299999999999999 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.4500000000000002 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.8400000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 2.77 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 5.0999999999999996 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.95 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.23 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.0700000000000001 110.309 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.523 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 1.75 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.8500000000000001 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.9399999999999999 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.7000000000000002 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 2.5299999999999998 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 5.3300000000000001 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 2.1600000000000001 110.391 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.8199999999999998 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.5899999999999999 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.0999999999999996 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 2.21 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.2599999999999998 108.281 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.9100000000000001 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 7.54 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.6400000000000001 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.7300000000000004 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.405 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.8500000000000001 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.5699999999999998 109.347 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 2.3999999999999999 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.9500000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 4.3600000000000003 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.8700000000000001 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 5.3099999999999996 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.9399999999999999 109.284 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 4.7599999999999998 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 6.5499999999999998 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.8099999999999996 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 4.2400000000000002 109.259 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 4.71 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 4.1699999999999999 109.234 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 67' ' ' TYR . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.99 -0.374 . . . . 2.73 109.99 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 3.0299999999999998 109.346 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 3.6299999999999999 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.7400000000000002 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 4.5 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.0699999999999998 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.488 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.96 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 2.48 109.27 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.1799999999999999 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.4199999999999999 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 4.46 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.0299999999999998 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 2.4199999999999999 109.359 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 3.1899999999999999 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 2.4100000000000001 109.248 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.0600000000000001 108.294 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 2.7200000000000002 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.4300000000000002 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 25' ' ' LEU . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 3.21 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' N ' HG11 ' A' ' 24' ' ' VAL . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 2.0699999999999998 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 4.21 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 1.74 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.66000000000000003 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.0299999999999998 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 1.3 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 2.48 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.9500000000000002 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.8600000000000001 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.92000000000000004 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91000000000000003 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 1.6799999999999999 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 1.8100000000000001 109.305 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 1.74 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.6299999999999999 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 2.3599999999999999 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.9199999999999999 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.8899999999999999 110.424 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.5099999999999998 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.6400000000000001 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 2.3500000000000001 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 5.96 109.315 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 3.1800000000000002 110.979 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.7799999999999998 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.789999999999999 109.317 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 7.6699999999999999 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.3099999999999996 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.73 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.5099999999999998 109.303 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 108.253 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' HB ' ' A' ' 59' ' ' THR . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 6.7699999999999996 110.925 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 4.8799999999999999 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.4500000000000002 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 4.4199999999999999 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 3.8900000000000001 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.7199999999999998 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.7800000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 5.21 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 4.4299999999999997 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.9000000000000004 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 54' ' ' GLU . 4.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 4.3200000000000003 109.272 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.954 -0.388 . . . . 3.6800000000000002 109.954 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 3.2200000000000002 109.326 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HE3' ' CD1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.9800000000000004 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.453 ' CD1' ' HE3' ' A' ' 5' ' ' LYS . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.0299999999999998 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.5099999999999998 111.024 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 2.1200000000000001 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.71999999999999997 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.4399999999999999 109.319 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.6299999999999999 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 3.8199999999999998 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.9199999999999999 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 2.2999999999999998 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 2.3300000000000001 109.279 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 3.2400000000000002 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.6299999999999999 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 2.4399999999999999 108.256 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HG3' ' CD ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 2.0499999999999998 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 3.4399999999999999 109.303 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.4100000000000001 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 4.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 2.1899999999999999 109.311 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.2200000000000002 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.9399999999999999 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.81999999999999995 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.8400000000000001 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 2.3300000000000001 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 2.75 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 5.1799999999999997 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 2.0899999999999999 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.442 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 1.04 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.68999999999999995 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.8500000000000001 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.71 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.75 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 2.2999999999999998 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 4.5300000000000002 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.96 110.427 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.5699999999999998 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.7199999999999998 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.8399999999999999 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.571 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 9.5199999999999996 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' HG11 ' A' ' 48' ' ' VAL . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 3.5099999999999998 111.032 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.8900000000000001 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 7.46 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' HG3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 5.2400000000000002 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.3599999999999999 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 4.4299999999999997 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.3700000000000001 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.5899999999999999 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 3.5800000000000001 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5800000000000001 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 3.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CD2' HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 4.3399999999999999 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.9900000000000002 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.9399999999999995 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 4.6900000000000004 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 4.6799999999999997 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.6799999999999997 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 3.7999999999999998 109.311 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.028 -0.36 . . . . 6.1100000000000003 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -144.9 144.95 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 6.3499999999999996 109.641 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HD13 ' A' ' 68' ' ' LEU . 1.2 t 57.29 164.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.7799999999999998 109.974 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 3.1400000000000001 109.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.6299999999999999 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.8999999999999999 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 4.1900000000000004 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.9299999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' HB2' HG13 ' A' ' 38' ' ' ILE . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.82999999999999996 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.853 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 2.27 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 111.046 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.9399999999999999 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 3.8399999999999999 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.932 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.72 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 39' ' ' ALA . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.8300000000000001 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 3.6400000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 109.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.75 108.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.6000000000000001 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.846 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.6699999999999999 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG22 ' S3 ' ' A' ' 82' ' ' SF4 . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 3.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 2.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.3100000000000001 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 3.5800000000000001 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.8400000000000001 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.92000000000000004 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.0800000000000001 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 1.3100000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 2.46 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.7800000000000002 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.53 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.58999999999999997 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.69999999999999996 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.486 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.71 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.8600000000000001 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 2.0800000000000001 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' CG1' ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.6400000000000001 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.71 111.0 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 4.0300000000000002 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 2.0699999999999998 110.418 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.7400000000000002 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.7999999999999998 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.8100000000000001 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.8900000000000001 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.8 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.666 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.2400000000000002 108.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.8899999999999997 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.842 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 6.0300000000000002 110.267 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.8500000000000001 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.52 110.381 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.819 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.6099999999999999 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.7999999999999998 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 5.5300000000000002 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2000000000000002 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 4.2800000000000002 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' PHE . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 4.2300000000000004 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.2199999999999998 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 6.8099999999999996 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 6.0099999999999998 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' CG1' ' HB1' ' A' ' 70' ' ' ALA . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.6299999999999999 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 5.0199999999999996 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.9 mt -43.31 124.24 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 4.3099999999999996 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 36.89 51.86 1.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 3.8199999999999998 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB1' ' CG1' ' A' ' 66' ' ' VAL . . . -122.75 -64.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 3.75 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.4 tp10 -98.07 -58.14 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 9.0800000000000001 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' GLU . 32.6 p 38.4 48.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 5.6200000000000001 110.363 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -111.71 -54.56 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 8.9800000000000004 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -22.23 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 12.550000000000001 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' MET . 4.7 t -106.03 21.27 17.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 10.58 109.96 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.51 -62.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 9.2799999999999994 110.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -176.58 -38.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 13.52 111.014 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -115.01 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 14.800000000000001 109.326 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -42.82 -30.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 12.57 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 17.960000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.932 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.846 ' S3 ' HD11 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.4 ' N ' ' HB2' ' A' ' 54' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.018 -0.364 . . . . 8.6600000000000001 110.018 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.621 ' CG ' ' CD2' ' A' ' 62' ' ' LEU . 10.8 m-70 -149.57 138.14 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 6.9500000000000002 109.634 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -66.7 171.44 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 3.5699999999999998 109.993 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.458 HG21 ' CB ' ' A' ' 56' ' ' ALA . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 4.4500000000000002 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.8399999999999999 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 2.71 109.347 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 3.5800000000000001 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.1600000000000001 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.671 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.8600000000000001 110.362 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65000000000000002 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.531 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 2.6699999999999999 109.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.3200000000000001 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.98 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.871 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.6 pt20 -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2000000000000002 110.237 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.8500000000000001 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 39' ' ' ALA . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.9299999999999999 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 3.52 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.553 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8600000000000001 108.34 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3200000000000001 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.865 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 2.6000000000000001 109.237 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.747 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 3.4900000000000002 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.669 HD13 ' S2 ' ' A' ' 82' ' ' SF4 . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 2.1200000000000001 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.7400000000000002 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 4.9000000000000004 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 1.95 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.3400000000000001 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.1499999999999999 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.9299999999999999 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 1.26 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 2.0099999999999998 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.4299999999999997 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 2.1699999999999999 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.92000000000000004 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.81000000000000005 110.277 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 2.1600000000000001 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 1.6100000000000001 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 2.1200000000000001 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 3.1099999999999999 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.8300000000000001 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 4.2300000000000004 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 2.8100000000000001 110.429 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.9300000000000002 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 2.3900000000000001 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 4.25 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 2.3900000000000001 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.896 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.6699999999999999 108.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 6.3899999999999997 109.234 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.704 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 5.5 110.311 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.3700000000000001 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HB2' ' N ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.0199999999999996 110.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.716 ' HG1' ' NE2' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.9700000000000002 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.908 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.48 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.47 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.6800000000000002 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 6.0 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.2699999999999996 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 4.2300000000000004 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' CD2' ' CG ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.9900000000000002 109.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.5800000000000001 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 7.2300000000000004 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 6.5700000000000003 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 6.2400000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.7599999999999998 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -39.82 101.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.5999999999999996 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.54 56.92 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 5.8700000000000001 111.042 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.84 -43.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 5.8799999999999999 109.362 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -43.96 -41.81 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 5.6299999999999999 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 76' ' ' MET . 19.5 p 39.48 50.49 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 10.029999999999999 110.473 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -76.8 -32.91 57.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 7.6900000000000004 110.434 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -18.64 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 16.420000000000002 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -115.45 8.96 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 15.449999999999999 109.993 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -35.69 -58.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 13.710000000000001 110.974 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.597 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -178.86 -39.2 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 17.170000000000002 110.978 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -109.44 -48.43 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 0.832 . . . . 16.370000000000001 109.255 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -41.6 -31.11 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 15.69 109.226 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 22.379999999999999 111.038 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.908 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.975 -0.38 . . . . 7.9000000000000004 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 30.8 m80 -74.0 -165.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 6.6900000000000004 109.617 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t 64.11 149.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 2.9399999999999999 110.037 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 3.9399999999999999 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 4.0300000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.7999999999999998 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 3.7799999999999998 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.794 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 2.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.948 ' CD1' ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 3.02 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.1799999999999999 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.1699999999999999 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 3.3900000000000001 110.356 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.878 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.3 pt20 -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.3300000000000001 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.71 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG22 ' S4 ' ' A' ' 81' ' ' SF4 . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 1.8999999999999999 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.8300000000000001 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2000000000000002 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.684 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 2.6000000000000001 108.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 2.04 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.8999999999999999 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.5600000000000001 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.893 HG13 ' S2 ' ' A' ' 82' ' ' SF4 . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 3.5499999999999998 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 2.2599999999999998 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 4.4800000000000004 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 1.6200000000000001 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.60999999999999999 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.0700000000000001 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.8700000000000001 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.1899999999999999 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.76 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.9199999999999999 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.51 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.58999999999999997 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54000000000000004 110.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.8600000000000001 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.5900000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.418 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.8200000000000001 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 3.02 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 40' ' ' SER . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 2.1600000000000001 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 8.0600000000000005 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 2.0699999999999998 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.97 108.276 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 4.2400000000000002 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 2.23 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.9299999999999999 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.891 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 7.5300000000000002 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 6.0999999999999996 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.3300000000000001 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.9199999999999999 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.324 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.51 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.6699999999999999 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 3.3700000000000001 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 3.8199999999999998 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 3.4500000000000002 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.8300000000000001 109.957 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.6799999999999997 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 4.4699999999999998 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.96 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 5.0300000000000002 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' TYR . 80.9 mt -39.51 112.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 4.1299999999999999 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.05 72.03 0.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 4.0099999999999998 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.71 -53.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 3.9500000000000002 109.278 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' THR . 10.1 pt-20 -42.51 -45.04 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.177 . . . . 6.0800000000000001 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . 70.8 p 37.64 65.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 6.8399999999999999 110.461 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -113.58 -29.54 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 8.9100000000000001 110.418 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -94.73 -22.58 18.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 12.539999999999999 110.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -119.04 8.25 11.55 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 12.42 109.988 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.5 ttm -35.86 -59.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 10.44 111.016 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 174.22 40.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.125 . . . . 12.66 111.042 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 1.4 mt -107.6 -69.68 0.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.578 0.81 . . . . 13.74 109.288 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -84.76 -40.03 17.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 16.43 109.33 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 18.350000000000001 111.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.948 ' S3 ' ' CD1' ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.893 ' S2 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.996 -0.372 . . . . 6.5300000000000002 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' SER . 78.1 m80 -129.19 -175.5 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 7.2000000000000002 109.618 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p -38.16 147.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 3.3999999999999999 109.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 68' ' ' LEU . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 3.8599999999999999 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 6.5800000000000001 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 4.04 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 3.6899999999999999 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 61' ' ' PHE . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.8200000000000001 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.82999999999999996 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.806 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.1399999999999999 110.973 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 3.1400000000000001 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.83 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.1499999999999999 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 1.8500000000000001 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG21 ' S4 ' ' A' ' 81' ' ' SF4 . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 2.1299999999999999 109.357 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 4.7400000000000002 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 2.2200000000000002 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.448 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.97 108.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.2599999999999998 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.729 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 2.5299999999999998 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.5700000000000003 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.858 HG13 ' S2 ' ' A' ' 82' ' ' SF4 . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 3.04 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 2.2200000000000002 109.329 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 3.25 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.76 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.60999999999999999 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.3300000000000001 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 1.49 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.8400000000000001 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 4.3399999999999999 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 1.8799999999999999 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.81000000000000005 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.70999999999999996 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.522 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 1.77 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.8500000000000001 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.3799999999999999 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.6400000000000001 110.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 2.3500000000000001 111.049 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.96 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 2.5 110.423 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.4399999999999999 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.1699999999999999 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.9099999999999999 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.8499999999999996 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.72 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.703 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.9900000000000002 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 7.4500000000000002 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.5800000000000001 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.7799999999999998 110.389 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.747 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.46 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.0499999999999998 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 4.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.1800000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 3.5600000000000001 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 3' ' ' SER . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 4.0700000000000003 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.7800000000000002 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 7.0700000000000003 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 4.8300000000000001 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 5.3899999999999997 109.369 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.635 ' CD1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.54 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -36.68 103.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 4.0300000000000002 109.245 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.89 58.71 8.96 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 5.1699999999999999 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.03 -63.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 6.1500000000000004 109.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -173.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 10.119999999999999 110.264 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 76' ' ' MET . 42.3 p -138.2 52.23 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 8.7699999999999996 110.395 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 t -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 7.9000000000000004 110.378 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -19.95 24.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 14.1 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.607 ' OG ' ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -109.72 2.23 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 11.0 110.001 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -36.93 -43.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 12.5 111.006 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.93 29.73 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 11.76 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD11 ' CB ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -88.29 -33.57 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 12.65 109.248 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -136.02 -46.28 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 15.66 109.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.607 ' CE2' ' OG ' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 17.190000000000001 111.017 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.83 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.858 ' S2 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.458 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.033 -0.358 . . . . 6.4400000000000004 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -161.53 117.15 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 8.0700000000000003 109.605 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 59.8 155.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 3.6800000000000002 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 3.2400000000000002 109.291 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 4.0899999999999999 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 2.75 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 4.0300000000000002 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.0499999999999998 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.822 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.8200000000000001 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66000000000000003 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.772 HD12 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 3.2799999999999998 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.5800000000000001 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.9500000000000002 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.883 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.4100000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.8 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG21 ' S4 ' ' A' ' 81' ' ' SF4 . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 2.0499999999999998 109.255 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 4.7300000000000004 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.95 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.464 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.79 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.868 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4000000000000004 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.872 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 2.5600000000000001 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.3500000000000001 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.429 ' N ' ' SD ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 7.1200000000000001 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.491 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 1.78 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.90000000000000002 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 1.8700000000000001 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 2.6200000000000001 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 6.8600000000000003 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.6799999999999999 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.72999999999999998 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.64000000000000001 110.308 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.5800000000000001 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 1.7 109.31 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 26' ' ' GLU . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.49 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 2.5 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 2.1800000000000002 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 4.0800000000000001 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' HG22 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.8700000000000001 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.4700000000000002 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.8399999999999999 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 2.0099999999999998 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.8500000000000001 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.71 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.641 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.8799999999999999 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 8.2899999999999991 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.868 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 7.0599999999999996 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.504 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.4100000000000001 108.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.2300000000000004 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.5699999999999998 110.391 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' CYS . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.8999999999999999 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7400000000000002 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.6299999999999999 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.4500000000000002 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 3.8799999999999999 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 3.9300000000000002 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 5.5700000000000003 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 7.3600000000000003 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' HG22 ' A' ' 64' ' ' ILE . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 5.3700000000000001 110.291 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 4.4800000000000004 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 4.6299999999999999 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.3 -57.04 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 4.5599999999999996 109.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.46 69.71 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 4.3099999999999996 111.045 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.15 -60.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 3.5499999999999998 109.235 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.19 -56.69 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 6.5300000000000002 110.32 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t 41.76 37.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.115 . . . . 7.8200000000000003 110.485 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 74' ' ' ARG . 9.1 t -96.71 -35.78 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 8.9900000000000002 110.401 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' N ' HG22 ' A' ' 73' ' ' THR . 2.0 mtt180 -76.66 -11.23 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 12.91 110.283 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -134.83 26.08 3.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 14.93 109.991 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.4 mtm -34.51 -38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 12.49 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.03 35.0 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 17.309999999999999 111.005 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -139.49 -49.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 0.807 . . . . 18.460000000000001 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -44.68 -32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 19.43 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 1.1 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 23.010000000000002 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.883 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.872 ' S2 ' HG11 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.027 -0.36 . . . . 6.6600000000000001 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 178.2 177.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 6.7699999999999996 109.545 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p 60.26 153.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 2.5 110.013 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 3.29 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 3.71 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 3.1299999999999999 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 3.4700000000000002 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.889 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 1.71 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66000000000000003 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.677 ' CD1' ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 3.1099999999999999 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.805 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.3600000000000001 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 4.0800000000000001 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.759 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.8500000000000001 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 2.3199999999999998 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 2.3100000000000001 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 3.54 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.8899999999999999 108.364 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.6299999999999999 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.868 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.23 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.1600000000000001 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 2.77 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 2.02 109.342 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.9900000000000002 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 3.3999999999999999 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.41 ' CG2' HG21 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 1.74 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.83999999999999997 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6000000000000001 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 1.8700000000000001 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.8100000000000001 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.8700000000000001 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 1.5700000000000001 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.90000000000000002 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.68999999999999995 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 1.8999999999999999 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.6699999999999999 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 2.3199999999999998 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 2.5600000000000001 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 3.02 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.8200000000000003 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 2.1499999999999999 110.422 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.1400000000000001 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.1400000000000001 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.96 109.268 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.9099999999999999 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.898 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.2999999999999998 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 7.3499999999999996 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.7300000000000004 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1600000000000001 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 3.6499999999999999 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.765 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.1800000000000002 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.6399999999999999 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.7599999999999998 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 4.6100000000000003 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 4.4199999999999999 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 4.0700000000000003 109.247 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 4.3200000000000003 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 7.9199999999999999 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 5.1100000000000003 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.79 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 4.75 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' GLY . 47.3 mt -50.56 113.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 4.3899999999999997 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.08 57.49 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 4.6699999999999999 111.0 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.53 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 3.8599999999999999 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.21 -78.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 8.2300000000000004 110.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p 39.79 43.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 8.5999999999999996 110.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -122.38 -37.96 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 9.0999999999999996 110.395 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -26.25 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 12.77 110.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.57 13.82 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 13.369999999999999 110.053 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -36.68 -57.5 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 1.075 . . . . 13.67 111.037 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.516 ' HA2' ' CD2' ' A' ' 80' ' ' TYR . . . 122.59 29.66 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 15.68 110.935 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 mt -113.92 -64.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 15.84 109.314 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.55 -33.78 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 16.210000000000001 109.318 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 19.34 111.04 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.889 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.898 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.997 -0.372 . . . . 7.1699999999999999 109.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -148.51 168.68 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 7.1799999999999997 109.575 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t 56.8 163.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 2.77 110.033 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 3.6400000000000001 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 4.46 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.9500000000000002 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 3.7200000000000002 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.618 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.894 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 2.0099999999999998 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66000000000000003 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.833 HD11 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 3.4399999999999999 109.344 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.6299999999999999 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.591 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 2.1800000000000002 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 3.4500000000000002 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.751 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.3100000000000001 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 1.75 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG22 ' S4 ' ' A' ' 81' ' ' SF4 . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 2.1200000000000001 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 4.8499999999999996 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 2.04 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.6699999999999999 108.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.837 ' CD1' ' S3 ' ' A' ' 82' ' ' SF4 . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.6899999999999999 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.3700000000000001 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.618 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 2.8599999999999999 109.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 1.8500000000000001 109.296 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.6200000000000001 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 3.79 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 1.6899999999999999 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.89000000000000001 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.8999999999999999 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 1.26 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.6899999999999999 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 5.0899999999999999 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.62 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.57999999999999996 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 1.8899999999999999 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' CB ' ' CG2' ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 1.6299999999999999 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 3.0600000000000001 110.031 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.8700000000000001 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 2.0600000000000001 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 7.2300000000000004 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 2.3900000000000001 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.8999999999999999 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.8300000000000001 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 2.6000000000000001 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.767 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.0800000000000001 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 7.2699999999999996 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.9400000000000004 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.508 ' O ' ' CG2' ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.3799999999999999 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 3.8399999999999999 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.813 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.3300000000000001 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.413 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.47 108.301 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.466 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 3.1200000000000001 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 5.2199999999999998 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 4.3499999999999996 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 3.73 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.7400000000000002 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.9800000000000004 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.9100000000000001 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 4.3200000000000003 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 5.4000000000000004 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' TYR . 1.4 mm? -39.91 -55.81 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.8900000000000001 109.242 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 69.39 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 5.0499999999999998 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' CA ' ' HB ' ' A' ' 73' ' ' THR . . . -131.58 -81.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 5.1399999999999997 109.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' THR . 3.0 tp10 51.55 -101.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 11.220000000000001 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 t -70.15 -4.99 24.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 9.3000000000000007 110.385 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.476 ' HB ' ' CA ' ' A' ' 70' ' ' ALA . 3.7 m -60.37 -54.06 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 7.8200000000000003 110.362 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.54 -21.59 52.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 14.56 110.252 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.6 OUTLIER -111.15 14.72 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 9.4399999999999995 110.008 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER 65.67 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 13.970000000000001 111.001 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' SER . . . -155.1 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 13.49 110.978 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.525 ' CD2' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -116.45 -39.05 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 14.32 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -175.32 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 11.25 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.451 ' HB2' ' CB ' ' A' ' 76' ' ' MET . 18.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 18.91 110.938 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.894 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.837 ' S3 ' ' CD1' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 2' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 6.8399999999999999 110.031 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.555 ' CD2' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -178.6 135.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 7.5999999999999996 109.617 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t 58.61 164.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 3.21 110.018 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 5' ' ' LYS . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 3.96 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 4.2000000000000002 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 3.23 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 4.5800000000000001 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.526 ' HB ' ' CG ' ' A' ' 61' ' ' PHE . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 1.8600000000000001 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76000000000000001 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 2.4500000000000002 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.1899999999999999 110.997 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.3799999999999999 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.8999999999999999 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.624 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 1.98 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 39' ' ' ALA . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 2.0099999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.8799999999999999 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.594 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 2.6099999999999999 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.725 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.8999999999999999 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.855 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.1400000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.88 HG12 ' S2 ' ' A' ' 82' ' ' SF4 . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.3300000000000001 109.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.21 109.314 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.1499999999999999 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 3.5899999999999999 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG2' HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.6200000000000001 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.1399999999999999 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.96999999999999997 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 1.1399999999999999 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 1.9299999999999999 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 4.6799999999999997 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 2.1499999999999999 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.79000000000000004 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81000000000000005 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.576 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 1.51 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.476 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.6399999999999999 109.282 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 1.8500000000000001 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 2.5600000000000001 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.401 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 2.4100000000000001 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 5.29 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 47' ' ' CYS . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 2.4399999999999999 110.42 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.5299999999999998 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.8099999999999996 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.3300000000000001 108.282 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 4.96 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.7599999999999998 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.6299999999999999 108.347 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 7.0800000000000001 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.85 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.9900000000000002 110.369 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.3199999999999998 108.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 110.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 3.4900000000000002 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.675 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.564 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 3.29 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 7.0 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.526 ' CG ' ' HB ' ' A' ' 9' ' ' THR . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 6.0099999999999998 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 61' ' ' PHE . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 5.5099999999999998 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.9900000000000002 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 6.7199999999999998 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 5.9199999999999999 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 4.6600000000000001 109.287 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 5.7800000000000002 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.6 121.89 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.7200000000000002 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.69 54.19 6.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 3.98 111.052 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.28 -45.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 3.3799999999999999 109.278 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -41.41 -65.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 5.9400000000000004 110.354 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -122.14 36.93 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 6.96 110.401 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -53.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 9.5500000000000007 110.461 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.26 -22.38 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 13.31 110.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.2 t -99.69 14.77 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 8.6199999999999992 110.022 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.02 -47.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 10.02 111.063 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.602 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 176.92 48.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 12.5 110.979 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -121.89 -58.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 16.469999999999999 109.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.538 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -84.5 -31.96 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 14.140000000000001 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.602 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 15.48 111.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.675 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 6.8399999999999999 109.97 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -99.94 -173.61 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 6.9900000000000002 109.614 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 2' ' ' HIS . 2.7 p 84.42 141.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 2.7000000000000002 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 4.3799999999999999 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 4.3300000000000001 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 3.6000000000000001 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 3.79 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.3199999999999998 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.67 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 2.0600000000000001 110.406 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.1899999999999999 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.861 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 2.3300000000000001 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.5700000000000001 110.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 4.5700000000000003 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.1600000000000001 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 1.8300000000000001 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG21 ' CB ' ' A' ' 39' ' ' ALA . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 1.96 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.4500000000000002 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.572 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.6899999999999999 108.314 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.52 109.35 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 2.71 109.292 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 2.04 109.313 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 110.268 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 3.4100000000000001 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.8500000000000001 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.82999999999999996 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.0900000000000001 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 1.3 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 2.4100000000000001 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 4.1699999999999999 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.9199999999999999 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.62 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 1.6100000000000001 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 1.6200000000000001 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.6399999999999999 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.6699999999999999 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 2.2999999999999998 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 5.4400000000000004 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 2.52 110.423 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.1600000000000001 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.0699999999999998 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 2.1299999999999999 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 4.21 109.318 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' N ' ' HB1' ' A' ' 70' ' ' ALA . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 2.29 110.949 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.657 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.9900000000000002 108.32 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 6.7999999999999998 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.77 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 6.2699999999999996 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.0899999999999999 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 3.73 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.644 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.9399999999999999 108.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' O ' ' HB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 3.0899999999999999 110.995 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 61' ' ' PHE . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.6800000000000002 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 3.4900000000000002 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' PHE . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 4.1699999999999999 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.6699999999999999 109.994 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' C ' ' HG2' ' A' ' 65' ' ' ARG . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 7.1600000000000001 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.528 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.7300000000000004 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 4.3499999999999996 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 5.6100000000000003 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -27.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.1399999999999997 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 67' ' ' TYR . . . 148.76 -18.08 1.25 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 10.75 111.068 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -168.78 -66.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 0.807 . . . . 10.66 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 55.67 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 6.9400000000000004 110.275 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.3 p -138.24 44.67 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 8.8000000000000007 110.448 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -116.5 -49.97 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 7.96 110.38 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -112.14 -21.42 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 11.32 110.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 20.11 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 9.1600000000000001 110.014 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -49.45 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 9.9100000000000001 110.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.83 30.89 2.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 11.51 111.041 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 1.2 mt -98.33 -51.82 3.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 0.808 . . . . 12.02 109.348 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.72 -55.29 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 12.84 109.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 58.2 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 14.6 110.998 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.861 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.77 ' S1 ' ' HB2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 6.7300000000000004 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.518 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.1 p-80 -129.29 -172.38 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 5.7300000000000004 109.66 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 60.78 122.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 3.02 110.023 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 3.5800000000000001 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.6499999999999999 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' O ' ' CG2' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.8900000000000001 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 3.3399999999999999 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3300000000000001 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.539 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.77 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65000000000000002 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 2.46 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.1499999999999999 108.268 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 3.52 110.389 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.1499999999999999 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.8700000000000001 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 3.7799999999999998 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.96 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.9299999999999999 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.6899999999999999 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.6499999999999999 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.863 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.5299999999999998 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 2.4500000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 2.0800000000000001 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 40' ' ' SER . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.9699999999999998 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.96 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.1799999999999999 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.6100000000000001 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.6699999999999999 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.9399999999999999 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 2.4100000000000001 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 7.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 1.53 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.73999999999999999 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.73999999999999999 110.371 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.75 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 1.77 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 2.4300000000000002 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 2.7799999999999998 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.7200000000000002 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 5.6699999999999999 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 2.3799999999999999 110.466 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.8500000000000001 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.6699999999999999 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 2.2000000000000002 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 3.8900000000000001 109.226 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.885 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.4399999999999999 108.296 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.5800000000000001 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.79 110.334 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.21 108.268 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.4399999999999999 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 3.2000000000000002 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.97 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.9199999999999999 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 4.5800000000000001 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.8700000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 5.0999999999999996 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.2999999999999998 109.278 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 4.1900000000000004 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD11 ' CE1' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 9.1400000000000006 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 4.4000000000000004 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 70' ' ' ALA . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 6.7400000000000002 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 5.4199999999999999 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' GLY . 2.0 mm? -39.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.8999999999999999 109.349 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . 33.35 74.36 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.54 1.15 . . . . 6.1799999999999997 110.971 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 66' ' ' VAL . . . -141.81 -61.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 4.0700000000000003 109.256 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.1 mt-10 -43.02 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 7.5300000000000002 110.238 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLU . 64.9 p 37.09 61.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 6.9400000000000004 110.457 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -154.64 -44.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.220000000000001 110.383 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -95.04 -24.46 16.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.107 . . . . 14.460000000000001 110.341 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -113.44 -6.69 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 12.300000000000001 109.958 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER 35.47 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 11.390000000000001 111.011 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -139.42 -41.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 13.59 111.042 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -110.15 -41.31 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 18.030000000000001 109.332 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -35.82 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 15.74 109.314 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.506 ' CB ' ' OG ' ' A' ' 75' ' ' SER . 2.8 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 19.5 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.777 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.885 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 59' ' ' THR . 37.4 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.066 -0.346 . . . . 7.3200000000000003 110.066 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.7 m170 50.28 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 6.7400000000000002 109.554 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t 64.32 166.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.9500000000000002 110.011 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.71 109.304 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.6099999999999999 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 3.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 3.9100000000000001 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.845 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.97 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' HA ' ' S2 ' ' A' ' 81' ' ' SF4 . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.1100000000000001 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.867 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 2.6699999999999999 109.339 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.3400000000000001 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 4.04 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.934 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 2.4900000000000002 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 2.52 109.336 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 4.5700000000000003 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.8400000000000001 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.8100000000000001 108.309 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.6699999999999999 110.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.867 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 4.0300000000000002 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.6699999999999999 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' S2 ' ' A' ' 82' ' ' SF4 . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 2.6600000000000001 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.3300000000000001 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 3.79 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 40' ' ' SER . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 1.72 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.68000000000000005 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.623 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.0800000000000001 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.8400000000000001 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 1.1899999999999999 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 2.29 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 4.6799999999999997 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.49 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.57999999999999996 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.69999999999999996 110.287 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.77 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.6899999999999999 109.366 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 2.0299999999999998 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 3.0800000000000001 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 2.27 110.997 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 4.1799999999999997 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.381 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.6400000000000001 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.9700000000000002 109.385 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.8899999999999999 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.1800000000000002 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 8.7400000000000002 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 6.6100000000000003 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.9399999999999999 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.942 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.4100000000000001 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.73 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.6299999999999999 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 61' ' ' PHE . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 3.4900000000000002 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.3099999999999996 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 4.2400000000000002 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 63' ' ' SER . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 3.8300000000000001 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 5.2599999999999998 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 7.3499999999999996 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 5.5499999999999998 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.9100000000000001 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 4.4500000000000002 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' TYR . 1.0 OUTLIER -39.63 149.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 109.255 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.94 53.42 40.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 4.75 111.033 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.85 -50.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 3.8500000000000001 109.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' THR . 4.9 tt0 -175.89 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 9.1899999999999995 110.247 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' GLU . 1.9 p 35.64 39.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 7.3300000000000001 110.426 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 m -117.11 -49.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 10.050000000000001 110.409 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -127.39 -37.1 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 15.109999999999999 110.28 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -95.3 27.46 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 8.2400000000000002 109.999 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.0 mtp -36.39 -41.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 13.630000000000001 110.971 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.81 30.94 2.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 13.289999999999999 111.029 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 78' ' ' LEU . 2.0 mt -98.4 -50.84 4.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 14.82 109.343 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.28 -49.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 12.699999999999999 109.318 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 14.33 110.958 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.942 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.867 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 6.54 110.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -98.69 -173.67 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 7.25 109.588 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p 60.55 163.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 3.3399999999999999 109.995 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.427 ' CG1' ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 4.2699999999999996 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 3.46 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 3.5899999999999999 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 3.8999999999999999 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2000000000000002 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.855 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 1.76 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HA ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91000000000000003 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.863 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 2.48 109.324 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.4299999999999999 110.996 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.8700000000000001 110.367 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.1699999999999999 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.577 HG22 ' S4 ' ' A' ' 81' ' ' SF4 . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 2.1099999999999999 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 4.6299999999999999 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.27 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.6200000000000001 108.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.3799999999999999 110.951 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.844 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 2.5499999999999998 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4000000000000004 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.863 HG23 ' S2 ' ' A' ' 82' ' ' SF4 . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 4.0300000000000002 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 24' ' ' VAL . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 2.02 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 3.48 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.8500000000000001 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.85999999999999999 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.1599999999999999 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.1299999999999999 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 1.1899999999999999 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 2.2999999999999998 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 4.1299999999999999 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.71 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.72999999999999998 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.67000000000000004 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 1.76 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 1.71 109.363 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.8799999999999999 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.8900000000000001 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 2.5899999999999999 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.9300000000000002 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 2.4399999999999999 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.6299999999999999 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.2200000000000002 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 2.02 108.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 4.2300000000000004 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.7 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.76 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1000000000000001 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 6.1799999999999997 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.828 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 6.1500000000000004 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.3799999999999999 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.1799999999999997 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 4.1699999999999999 110.336 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' O ' ' CD2' ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.2400000000000002 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.736 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 2.02 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.8700000000000001 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 5.2199999999999998 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.71 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 4.2800000000000002 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 5.6100000000000003 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.488 ' C ' ' O ' ' A' ' 63' ' ' SER . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 7.3300000000000001 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 4.5 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.9399999999999999 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 4.2400000000000002 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 1.5 mm? -40.36 145.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 4.25 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 50.57 7.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.381 1.051 . . . . 4.2300000000000004 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.64 -57.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 4.75 109.302 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.99 121.32 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 7.4900000000000002 110.266 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 73' ' ' THR . 3.9 t -176.8 60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 7.3600000000000003 110.427 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER 84.53 -44.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 11.640000000000001 110.408 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.442 ' N ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -83.89 -31.07 25.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 10.5 110.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.423 ' CB ' ' HD3' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -132.8 22.74 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 8.0399999999999991 109.994 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.444 ' CE ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.1 -61.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 13.140000000000001 110.946 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -174.51 -39.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 13.42 111.049 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -105.06 -47.62 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 15.25 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -39.34 -31.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.92 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 17.690000000000001 110.938 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.863 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.863 ' S2 ' HG23 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 2.7 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.038 -0.356 . . . . 9.1400000000000006 110.038 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 70.44 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 7.7400000000000002 109.595 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t 54.0 -175.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 3.6699999999999999 110.012 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 4.7699999999999996 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 5.6900000000000004 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG22 ' S2 ' ' A' ' 81' ' ' SF4 . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 8.8200000000000003 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 5.2400000000000002 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.6299999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 57' ' ' CYS . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 2.3999999999999999 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.85 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.3500000000000001 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 2.8599999999999999 109.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.8300000000000001 108.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 3.8399999999999999 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.875 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.519 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.97 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 39' ' ' ALA . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 2.4300000000000002 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 3.0299999999999998 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.3999999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.678 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 2.48 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2000000000000002 111.025 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.865 HD22 ' S3 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 4.2300000000000004 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.0599999999999996 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' N ' ' SG ' ' A' ' 20' ' ' CYS . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 3.48 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 2.1400000000000001 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 4.9299999999999997 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.8 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.83999999999999997 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.7400000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.73 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 2.3599999999999999 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 4.3099999999999996 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 2.7400000000000002 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.23 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 2.1600000000000001 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 2.3799999999999999 109.259 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.9399999999999999 109.989 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 4.0599999999999996 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 4.1799999999999997 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 2.2200000000000002 110.427 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.7999999999999998 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.6200000000000001 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 2.0299999999999998 108.355 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 3.8100000000000001 109.31 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.707 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.96 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.711 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.5499999999999998 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 7.6399999999999997 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.837 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.8700000000000001 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.8500000000000001 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 3.9500000000000002 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.3100000000000001 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.474 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 108.222 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 5.6299999999999999 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 6.8399999999999999 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 5.5300000000000002 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 4.29 109.252 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.41 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 6.21 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 7.7300000000000004 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 6.8600000000000003 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 7.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' CD1' HG13 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 6.0499999999999998 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' C ' ' O ' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -30.65 125.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 5.2000000000000002 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.98 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 4.4800000000000004 110.967 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.17 -53.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 0.767 . . . . 4.4400000000000004 109.235 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' THR . 8.3 pt-20 -65.88 -170.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 5.8399999999999999 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.7 t 35.78 43.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 5.7400000000000002 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -110.06 -46.68 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.383 1.052 . . . . 8.3000000000000007 110.414 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -112.5 -23.23 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 11.49 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.3 t -113.7 18.94 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 9.6799999999999997 109.981 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 ptm -35.57 -50.78 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 9.7300000000000004 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.03 -36.48 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 10.470000000000001 110.974 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -108.23 -58.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 12.75 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -39.84 -32.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 12.57 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . 1.1 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 16.329999999999998 111.026 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.875 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.865 ' S3 ' HD22 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 16.489999999999998 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -40.48 134.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 14.970000000000001 109.614 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p 44.21 -154.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 7.4800000000000004 110.056 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' A' ' 3' ' ' SER . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.9300000000000002 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 9.0500000000000007 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 3.4300000000000002 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 4.25 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.485 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 2.21 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.90000000000000002 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.537 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 2.5800000000000001 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.5600000000000001 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.826 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.6799999999999999 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 5.0199999999999996 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.957 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.8700000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 2.4500000000000002 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' GLN . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 2.21 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 3.27 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.8500000000000001 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.9399999999999999 108.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.8999999999999999 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.0599999999999996 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.878 HG12 ' S2 ' ' A' ' 82' ' ' SF4 . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 3.1299999999999999 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD13 ' S2 ' ' A' ' 82' ' ' SF4 . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 2.1800000000000002 109.248 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 3.6299999999999999 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.547 ' CG2' ' CG2' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 2.1499999999999999 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.95999999999999996 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.4199999999999999 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1000000000000001 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.3500000000000001 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 2.7000000000000002 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 4.5 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 2.4500000000000002 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.05 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.1399999999999999 110.295 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.547 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.98 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.9399999999999999 109.309 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.5 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 2.5899999999999999 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 2.1600000000000001 111.032 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.6600000000000001 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 HG22 ' CG2' ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 2.1200000000000001 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.0099999999999998 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.1699999999999999 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.96 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.8900000000000001 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.593 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.8600000000000001 111.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.8999999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 6.04 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 6.9100000000000001 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.0099999999999998 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.6400000000000001 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.897 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.6399999999999999 108.279 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.7800000000000002 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 4.3399999999999999 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 4.2999999999999998 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.9800000000000004 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 7.54 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 7.1900000000000004 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 7.5 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.584 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 11.17 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? -39.03 -38.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 4.7300000000000004 109.323 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.51 57.9 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 6.5599999999999996 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.12 -46.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 5.2300000000000004 109.328 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.4 -54.36 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 7.3799999999999999 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 76' ' ' MET . 5.9 t -77.44 -0.04 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 11.51 110.428 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 m -60.38 -58.02 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 14.65 110.37 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -114.21 -25.94 8.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 14.49 110.312 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 12.59 109.999 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.414 ' O ' ' OG1' ' A' ' 72' ' ' THR . 0.0 OUTLIER 58.68 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 18.309999999999999 111.015 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -170.7 -36.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 14.710000000000001 111.049 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -101.39 -45.34 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 17.34 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -42.97 -29.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 16.84 109.29 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 15.609999999999999 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.957 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.878 ' S2 ' HG12 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.505 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 9.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.025 -0.361 . . . . 6.4500000000000002 110.025 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.2 OUTLIER 170.2 -172.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 6.4100000000000001 109.586 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t 59.09 159.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 3.0 110.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 3.6099999999999999 109.302 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.7200000000000002 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' N ' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 5.6900000000000004 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 3.4700000000000002 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.0600000000000001 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 1.6399999999999999 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.83999999999999997 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.639 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 3.0299999999999998 109.251 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 4.1299999999999999 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.897 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.7 pt20 -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.1600000000000001 110.347 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 1.96 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 2.4700000000000002 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.8799999999999999 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 2.5899999999999999 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.706 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.8500000000000001 108.244 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 3.2400000000000002 109.363 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.864 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 3.96 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.813 HD12 ' S2 ' ' A' ' 82' ' ' SF4 . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 2.0699999999999998 109.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.6800000000000002 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 3.8300000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.71 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.76000000000000001 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.0900000000000001 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 1.24 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 1.9399999999999999 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 7.0999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 1.77 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.59999999999999998 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.81999999999999995 110.318 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.575 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 1.8700000000000001 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.6200000000000001 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.6100000000000001 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.9399999999999999 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 2.4199999999999999 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 4.0800000000000001 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.98 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.0899999999999999 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 3.0 108.274 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 7.4500000000000002 109.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.996 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 3.3399999999999999 111.024 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.941 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.5699999999999998 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 11.65 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.8599999999999994 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.1500000000000004 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 3.2999999999999998 110.419 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.911 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.6699999999999999 109.301 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.6499999999999999 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.3700000000000001 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 4.0499999999999998 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 3.48 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 3.75 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.6399999999999997 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 8.2100000000000009 109.28 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 6.0099999999999998 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG12 ' CB ' ' A' ' 70' ' ' ALA . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 4.0499999999999998 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 4.6100000000000003 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.47 125.53 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 5.0599999999999996 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.23 73.97 0.13 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 4.2800000000000002 111.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' CB ' HG12 ' A' ' 66' ' ' VAL . . . -155.1 -50.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 4.1100000000000003 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -59.24 -70.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 7.4900000000000002 110.346 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p 39.92 72.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 7.2300000000000004 110.415 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 t -164.89 -47.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 9.4499999999999993 110.406 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.4 -27.58 8.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 13.17 110.269 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 44.6 p -119.55 8.17 11.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 7.9299999999999997 110.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 8.5 ttt -36.69 -63.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 9.5 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.598 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 148.43 42.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.584 1.178 . . . . 10.199999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -120.62 -60.05 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 0.734 . . . . 11.35 109.263 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.565 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -82.3 -31.34 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 11.960000000000001 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 14.65 111.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.911 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.996 ' S4 ' ' CA ' ' A' ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.043 -0.354 . . . . 7.0599999999999996 110.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -130.96 147.35 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 6.6100000000000003 109.666 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 68' ' ' LEU . 10.5 p 58.48 157.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.476 1.11 . . . . 2.8300000000000001 110.01 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 3.23 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.5299999999999998 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 3.3100000000000001 109.341 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 4.1200000000000001 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.585 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 1.74 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.80000000000000004 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.791 HD11 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 3.3900000000000001 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.3100000000000001 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.877 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 3.5800000000000001 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.779 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.9 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.2400000000000002 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.8300000000000001 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 2.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 3.8199999999999998 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.95 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 2.0299999999999998 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.874 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 2.6200000000000001 109.349 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.4399999999999999 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.862 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 3.5499999999999998 109.263 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD13 ' S2 ' ' A' ' 82' ' ' SF4 . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 2.2200000000000002 109.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.1699999999999999 110.275 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 3.6600000000000001 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.6399999999999999 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.88 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.0499999999999998 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 1.26 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.9399999999999999 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 4.3799999999999999 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 1.8400000000000001 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.84999999999999998 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.67000000000000004 110.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 1.8999999999999999 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 1.5700000000000001 109.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.72 110.031 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 2.54 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 2.0499999999999998 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 4.8799999999999999 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.97 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.1499999999999999 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.1299999999999999 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.7 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 4.1500000000000004 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.636 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.6000000000000001 111.013 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.9399999999999999 108.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.9400000000000004 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 6.2300000000000004 110.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.5299999999999998 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.46 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.7799999999999998 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.778 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.4300000000000002 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.6200000000000001 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 5.4299999999999997 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.6600000000000001 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.478 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 3.6000000000000001 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.4100000000000001 109.306 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.585 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.9400000000000004 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 7.46 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 6.8200000000000003 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 4.2400000000000002 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 4.2800000000000002 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 3' ' ' SER . 41.1 mt -41.62 107.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 4.4100000000000001 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.87 76.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 4.04 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.45 -57.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 3.6800000000000002 109.253 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.97 119.29 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 5.9699999999999998 110.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -162.66 28.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 7.4699999999999998 110.381 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 74' ' ' ARG . 12.8 t -96.04 -27.81 14.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 9.6400000000000006 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -85.25 -18.41 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 12.380000000000001 110.337 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -2.13 25.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.107 . . . . 8.5700000000000003 109.944 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.46 -40.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 11.75 111.045 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.572 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 122.98 37.89 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.569 1.168 . . . . 12.49 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mt -110.38 -65.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 13.08 109.305 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -91.23 -36.8 13.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 12.49 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.572 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 15.199999999999999 110.971 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.877 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.874 ' S3 ' ' HB2' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.954 -0.387 . . . . 17.789999999999999 109.954 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.9 m170 52.92 174.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 16.030000000000001 109.581 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' CA ' ' HB2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -59.94 -151.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 4.8200000000000003 109.943 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' CG2' HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 3.6600000000000001 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 4.6500000000000004 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 3.4399999999999999 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 3.7200000000000002 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.8999999999999999 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.648 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 2.0800000000000001 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.84999999999999998 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.723 HD12 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 2.7400000000000002 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.719 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 3.7000000000000002 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.833 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.8199999999999998 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 56' ' ' ALA . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 2.3999999999999999 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG22 ' S4 ' ' A' ' 81' ' ' SF4 . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 2.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 4.2599999999999998 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.3100000000000001 109.27 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.429 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.77 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.8300000000000001 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.888 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 2.8399999999999999 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.5300000000000002 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.618 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.8799999999999999 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.99 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.0499999999999998 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 3.4399999999999999 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 1.54 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.79000000000000004 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.1400000000000001 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 1.45 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 2.29 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.8700000000000001 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 1.54 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.71999999999999997 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.71999999999999997 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.498 HD13 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 1.8100000000000001 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 1.5800000000000001 109.274 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 1.6899999999999999 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.8999999999999999 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 2.5499999999999998 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 5.2800000000000002 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 2.0499999999999998 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.5899999999999999 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.1499999999999999 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.7599999999999998 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.818 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.8799999999999999 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.606 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.2599999999999998 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.48 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 12.029999999999999 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.2400000000000002 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 2.7999999999999998 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.804 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.4399999999999999 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.7 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 4.4400000000000004 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.4399999999999999 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 4.5800000000000001 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 4.2699999999999996 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.96 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 9.1500000000000004 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.7800000000000002 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 4.4800000000000004 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 5.8099999999999996 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -43.41 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 3.5899999999999999 109.309 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.76 65.02 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 5.0099999999999998 111.048 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.16 -57.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 4.29 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 8.6999999999999993 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.1 p 38.83 64.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 6.75 110.348 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.9 t -155.62 -44.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 9.5299999999999994 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -93.95 -24.36 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 12.609999999999999 110.266 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -134.19 14.48 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.039999999999999 110.052 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.1 ttt -36.41 -55.19 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 9.7699999999999996 111.051 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 178.05 -41.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 10.710000000000001 111.051 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.08 -47.31 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 12.380000000000001 109.344 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.66 -32.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 11.869999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 3.8 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 16.239999999999998 111.063 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.833 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.888 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 6.2699999999999996 110.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.71 177.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 6.8200000000000003 109.542 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p 59.57 153.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 2.9399999999999999 109.973 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 5' ' ' LYS . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 3.5099999999999998 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 5.29 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.79 109.244 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 3.29 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.433 ' CG2' ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 1.9399999999999999 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.70999999999999996 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.647 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 2.7200000000000002 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' HD11 ' A' ' 11' ' ' ILE . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.4099999999999999 110.959 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 4.1299999999999999 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.881 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 2.04 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.693 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.3199999999999998 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 3.2400000000000002 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 2.4199999999999999 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.868 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.6200000000000001 109.218 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.8500000000000001 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 46' ' ' ASP . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.1899999999999999 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 2.4300000000000002 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 5.8300000000000001 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.493 ' CG2' HG22 ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.9099999999999999 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.72999999999999998 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.4900000000000002 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 1.96 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 2.1600000000000001 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 4.1299999999999999 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.6699999999999999 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79000000000000004 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.493 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.6799999999999999 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.9199999999999999 109.314 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 2.1400000000000001 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 2.1699999999999999 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 3.1299999999999999 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 4.4800000000000004 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.9299999999999999 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.6200000000000001 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.9700000000000002 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.8200000000000001 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 4.0099999999999998 109.272 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.847 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 2.1299999999999999 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.585 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 7.0499999999999998 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 7.4199999999999999 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.02 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.5199999999999996 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 3.2799999999999998 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.3799999999999999 109.231 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.444 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.8799999999999999 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.8900000000000001 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 3.4399999999999999 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 3.9399999999999999 109.313 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.4100000000000001 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 7.1699999999999999 109.202 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 4.4100000000000001 110.29 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 4.2800000000000002 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 4.4100000000000001 111.034 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.94 122.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 4.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.65 58.18 10.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 4.4100000000000001 110.999 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.13 -59.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 3.7000000000000002 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.58 -34.39 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 5.96 110.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' MET . 42.3 p 40.49 41.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 7.4299999999999997 110.401 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -64.61 -10.41 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 9.2799999999999994 110.39 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -101.9 -15.61 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 14.57 110.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -118.9 1.91 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 12.81 109.963 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -142.04 -41.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 10.99 110.976 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.77 45.33 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.095 . . . . 9.5999999999999996 111.024 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -109.69 -54.89 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 11.710000000000001 109.276 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.32 -43.89 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 11.880000000000001 109.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 16.68 111.022 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.881 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.868 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' A' ' 64' ' ' ILE . 60.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.028 -0.36 . . . . 6.5800000000000001 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.408 ' O ' ' OG ' ' A' ' 3' ' ' SER . 2.3 m-70 -163.27 -170.85 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 9.7200000000000006 109.615 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 2' ' ' HIS . 51.6 p 60.38 144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 2.5699999999999998 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 3.6099999999999999 109.327 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 4.7699999999999996 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 3.2999999999999998 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 4.4800000000000004 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.99 110.442 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91000000000000003 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 2.3500000000000001 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.1399999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.3600000000000001 108.303 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 4.3200000000000003 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.916 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.9299999999999999 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 2.9199999999999999 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 4.0599999999999996 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.5699999999999998 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 2.5499999999999998 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.8500000000000001 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.765 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 2.6000000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.2800000000000002 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 2.8799999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 2.2400000000000002 109.264 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.9399999999999999 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 3.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.5700000000000001 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.69999999999999996 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.6499999999999999 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8999999999999999 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 1.6699999999999999 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 2.7200000000000002 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 7.2400000000000002 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 2.23 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.90000000000000002 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.93999999999999995 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.503 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 2.1099999999999999 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.72 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.6499999999999999 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 4.2300000000000004 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 3.1800000000000002 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 5.0800000000000001 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 2.1600000000000001 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.0300000000000002 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.5600000000000001 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 2.3399999999999999 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 4.6100000000000003 109.28 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.6400000000000001 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.8399999999999999 108.374 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.9699999999999998 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.673 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 6.3200000000000003 110.216 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.818 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.4700000000000002 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 3.0499999999999998 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.1000000000000001 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.1299999999999999 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 6.3600000000000003 110.971 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 5.7199999999999998 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 3.6800000000000002 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 4.3600000000000003 109.31 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 5.4699999999999998 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' ' OG ' ' A' ' 1' ' ' SER . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.9299999999999997 109.338 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 6.3300000000000001 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 4.2300000000000004 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 4.9299999999999997 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.28 -52.26 64.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.27 54.36 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 4.0199999999999996 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.52 -56.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 4.4100000000000001 109.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' THR . 11.2 pt-20 -58.55 -157.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 6.9400000000000004 110.294 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 3.1 t 42.71 56.37 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 7.4100000000000001 110.37 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.4 t -174.37 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 7.2999999999999998 110.383 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -43.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 10.359999999999999 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -94.84 -13.45 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 10.57 110.029 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' SER . 31.2 mtt 35.05 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 10.720000000000001 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -147.92 -40.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 14.32 110.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -96.14 -46.29 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 17.050000000000001 109.258 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -43.93 -28.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 13.699999999999999 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 19.649999999999999 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.902 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.997 -0.372 . . . . 6.8399999999999999 109.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.489 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.1 m80 -105.62 -147.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 5.8700000000000001 109.634 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 2' ' ' HIS . 26.1 t -32.34 148.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 5.6799999999999997 109.992 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' CG2' HD21 ' A' ' 25' ' ' LEU . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 3.8799999999999999 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.6800000000000002 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 3.1899999999999999 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 3.5499999999999998 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.633 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.8999999999999999 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.72999999999999998 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.798 HD12 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 2.7599999999999998 109.344 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.886 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.6699999999999999 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.794 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 5.2599999999999998 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.867 ' CG ' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 2.4199999999999999 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 2.3100000000000001 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 3.1699999999999999 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 2.0099999999999998 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.568 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 2.1299999999999999 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.74 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.711 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 2.3100000000000001 109.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.2999999999999998 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.72 HG11 ' S3 ' ' A' ' 82' ' ' SF4 . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 4.3700000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 4' ' ' VAL . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 2.0499999999999998 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.1200000000000001 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 3.6699999999999999 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.6599999999999999 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.63 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.1100000000000001 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.0699999999999998 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 1.1699999999999999 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 2.2999999999999998 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.8599999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.8300000000000001 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78000000000000003 110.349 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.529 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 1.76 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 1.6000000000000001 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 1.8 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 3.0800000000000001 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 2.0800000000000001 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 3.6499999999999999 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 2.1600000000000001 110.409 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.6699999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.4500000000000002 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 5.2199999999999998 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 3.0699999999999998 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.834 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.1800000000000002 108.312 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 6.4699999999999998 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.896 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 6.7999999999999998 110.28 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.6600000000000001 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.8999999999999999 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.895 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.269 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.8500000000000001 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.3999999999999999 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 4.2800000000000002 110.414 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.1600000000000001 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 4.3200000000000003 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 4.8899999999999997 109.267 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 4.4199999999999999 110.028 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 6.5300000000000002 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 5.1299999999999999 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.9900000000000002 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 6.8799999999999999 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' N ' ' HB3' ' A' ' 2' ' ' HIS . 7.7 mt -81.97 61.94 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 5.5199999999999996 109.286 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.74 59.93 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 7.1200000000000001 111.024 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.95 -50.64 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 6.2800000000000002 109.272 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -101.28 -66.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 8.3300000000000001 110.309 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p 44.93 52.48 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 7.96 110.437 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -144.04 -45.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 9.6199999999999992 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -103.37 -20.2 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 11.51 110.258 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 p -109.38 -6.14 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 12.49 109.992 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -49.54 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 14.94 110.985 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.57 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 140.47 42.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 17.41 110.956 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -110.18 -68.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 18.039999999999999 109.252 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -85.62 -38.91 17.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 18.309999999999999 109.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 20.609999999999999 111.035 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.895 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S1 ' ' O ' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.047 -0.353 . . . . 6.9299999999999997 110.047 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 76.82 162.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 6.3300000000000001 109.644 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p 67.08 160.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 2.9399999999999999 109.99 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 3.73 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 5.2199999999999998 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 2.8500000000000001 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 3.71 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.0699999999999998 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.749 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 2.0899999999999999 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.889 HD11 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 2.9700000000000002 109.297 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.3200000000000001 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 3.6800000000000002 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.0600000000000001 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.97 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG22 ' S4 ' ' A' ' 81' ' ' SF4 . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 2.1699999999999999 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 3.6099999999999999 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.6200000000000001 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' ALA . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 2.6899999999999999 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 2.1499999999999999 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.608 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 2.7000000000000002 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.8100000000000001 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.757 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 3.0099999999999998 109.332 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' CA ' ' OG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 3.98 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.9199999999999999 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 3.9700000000000002 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 1.75 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.68999999999999995 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 1.3100000000000001 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 2.54 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 4.21 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 1.5700000000000001 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.59999999999999998 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56000000000000005 110.307 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 1.8700000000000001 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 1.9099999999999999 109.283 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 3.2000000000000002 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.405 ' OG ' ' CA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 2.73 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.96 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 4.4500000000000002 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 2.1600000000000001 110.42 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.1899999999999999 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.3300000000000001 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.8899999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 4.7199999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.704 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.8700000000000001 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.3500000000000001 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 9.4499999999999993 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.85 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.594 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 3.29 108.318 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 5.0700000000000003 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 3.2999999999999998 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 3.1099999999999999 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.73 ' N ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.9399999999999999 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.8599999999999999 111.043 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.7999999999999998 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.7799999999999998 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 3.4100000000000001 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 3.8500000000000001 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 5.1200000000000001 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 7.2800000000000002 109.315 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 5.4800000000000004 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 4.2999999999999998 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.7000000000000002 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt -42.92 -55.95 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' HA2' ' CB ' ' A' ' 73' ' ' THR . . . -88.67 63.06 3.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.561 1.163 . . . . 4.7300000000000004 111.021 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.7 -52.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 5.4800000000000004 109.231 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -38.89 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 8.1199999999999992 110.248 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -144.71 41.21 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 9.5600000000000005 110.435 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.426 ' CB ' ' HA2' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -94.29 -58.53 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 9.0600000000000005 110.338 -179.931 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.56 -25.38 16.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 12.199999999999999 110.298 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -90.24 -16.94 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 8.0800000000000001 109.981 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 50.37 -85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 10.529999999999999 110.991 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -153.36 -41.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.421 1.075 . . . . 10.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -103.09 -41.59 6.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 11.539999999999999 109.355 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.434 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -38.24 -32.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.75 109.28 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 15.199999999999999 110.999 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.889 ' S3 ' HD11 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.757 ' S3 ' HG21 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.48 ' O ' ' C ' ' A' ' 2' ' ' HIS . 5.0 p . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.038 -0.356 . . . . 6.25 110.038 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -33.98 119.19 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 8.1600000000000001 109.602 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p 41.04 -155.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 3.0899999999999999 110.092 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 4.3300000000000001 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 4.4299999999999997 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 2.5800000000000001 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 3.6299999999999999 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.2400000000000002 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.583 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.8799999999999999 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81000000000000005 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.671 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 2.2400000000000002 109.319 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.3500000000000001 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 4.0199999999999996 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.878 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.1200000000000001 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 2.02 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.1400000000000001 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 4.1299999999999999 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.6499999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 2.3500000000000001 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.7 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.871 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.4700000000000002 109.329 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.8899999999999997 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG23 ' S3 ' ' A' ' 82' ' ' SF4 . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.2200000000000002 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 2.3199999999999998 109.333 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.3199999999999998 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.5499999999999998 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.544 ' CG2' ' CG2' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 2.2599999999999998 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.93999999999999995 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.1399999999999999 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.3399999999999999 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 1.1499999999999999 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 2.5800000000000001 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 4.6399999999999997 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 1.75 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.83999999999999997 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.75 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 1.8500000000000001 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 1.6799999999999999 109.285 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLU . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 2.02 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 3.2999999999999998 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 2.1499999999999999 111.036 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 4.4500000000000002 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 2.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.5299999999999998 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.97 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 3.7799999999999998 109.314 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.8500000000000001 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.716 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.3199999999999998 108.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.7799999999999994 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.529 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 6.4500000000000002 110.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.1800000000000002 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.4199999999999999 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 3.1800000000000002 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.916 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.9300000000000002 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.4399999999999999 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.7999999999999998 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.3900000000000001 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6000000000000001 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 4.5300000000000002 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 3.5899999999999999 109.29 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 5.3099999999999996 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.9000000000000004 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 6.1900000000000004 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 4.2300000000000004 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 4.75 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.3 mt -45.08 117.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 4.79 109.359 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.92 62.95 2.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 4.1900000000000004 110.976 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' THR . . . -173.8 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 3.8799999999999999 109.268 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -24.49 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 7.2199999999999998 110.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.443 ' CB ' ' HG3' ' A' ' 76' ' ' MET . 3.5 p -83.81 36.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 6.6699999999999999 110.413 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 70' ' ' ALA . 2.6 m -126.34 -41.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 7.8600000000000003 110.396 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -120.42 -34.56 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 12.199999999999999 110.291 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.416 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 15.4 t -87.22 2.82 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 8.4000000000000004 110.021 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.494 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -92.28 -16.8 25.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 10.390000000000001 111.023 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.81 19.58 54.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 9.9100000000000001 111.045 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -99.55 -48.49 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 10.789999999999999 109.319 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -138.93 -55.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 13.02 109.286 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 76' ' ' MET . 69.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 14.9 110.972 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.871 ' S3 ' HD11 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 55' ' ' THR . 3.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.952 -0.388 . . . . 7.0300000000000002 109.952 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' SER . 14.5 m-70 -47.28 136.4 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 6.2800000000000002 109.575 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 56.87 161.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 3.6499999999999999 109.957 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 3.1800000000000002 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.7599999999999998 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.8900000000000001 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 4.3700000000000001 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.702 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.827 HD12 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 2.7799999999999998 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.912 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.8300000000000001 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.77 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 5.4800000000000004 110.375 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.886 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 16.5 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.6899999999999999 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 2.6099999999999999 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.624 HG21 ' S4 ' ' A' ' 81' ' ' SF4 . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 2.25 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 3.5299999999999998 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.8100000000000001 108.248 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.814 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 2.2599999999999998 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.2999999999999998 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.616 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 2.9500000000000002 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 2.2599999999999998 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.3700000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 3.4199999999999999 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.477 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 1.6399999999999999 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.69999999999999996 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.3300000000000001 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 1.4099999999999999 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.8500000000000001 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 4.4000000000000004 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.8500000000000001 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.79000000000000004 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78000000000000003 110.285 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.511 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.72 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 1.8400000000000001 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 1.5 110.048 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.456 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 2.6499999999999999 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 2.1499999999999999 110.996 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 3.3999999999999999 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 2.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.4100000000000001 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.7799999999999998 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.8400000000000001 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 4.1100000000000003 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 2.1099999999999999 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.935 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.3700000000000001 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.9699999999999998 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 6.79 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.3100000000000001 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.2799999999999998 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 3.5299999999999998 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.8200000000000001 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 3.2000000000000002 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 4.0899999999999999 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.7599999999999998 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 3.75 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 3.7999999999999998 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 6.3099999999999996 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.9199999999999999 109.239 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 4.5800000000000001 110.289 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.9700000000000002 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 4.8399999999999999 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.06 -59.49 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 4.3200000000000003 109.345 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.91 60.19 4.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.094 . . . . 4.9100000000000001 110.981 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.13 -43.62 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 3.8799999999999999 109.301 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -63.82 119.97 11.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 8.2200000000000006 110.319 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.576 ' O ' ' CB ' ' A' ' 73' ' ' THR . 2.1 t -178.07 56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 9.5500000000000007 110.436 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.576 ' CB ' ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER 87.4 -26.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 11.539999999999999 110.42 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 -39.37 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 13.460000000000001 110.287 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -146.01 24.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 7.4699999999999998 110.043 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -64.97 -40.82 95.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 12.58 110.951 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.99 43.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.539999999999999 110.979 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -93.65 -39.84 10.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 11.970000000000001 109.285 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -151.75 -51.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 9.8599999999999994 109.282 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 14.859999999999999 110.984 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.912 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.935 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.042 -0.355 . . . . 6.7199999999999998 110.042 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' SER . 1.7 p-80 176.48 163.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 6.6100000000000003 109.605 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' HIS . 53.9 p 59.55 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 3.1000000000000001 109.978 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 3.7400000000000002 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 3.4700000000000002 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 3.27 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 3.5499999999999998 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.0600000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.897 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 2.1099999999999999 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.93999999999999995 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.683 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 2.3799999999999999 109.299 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.3999999999999999 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.706 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 4.7300000000000004 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.9500000000000002 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 56' ' ' ALA . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 2.3599999999999999 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 3.7000000000000002 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 4.7300000000000004 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.3399999999999999 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 2.6099999999999999 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.9199999999999999 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.875 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 2.6299999999999999 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.4199999999999999 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 ' CG1' ' OG ' ' A' ' 41' ' ' SER . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 2.71 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 20' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 2.2000000000000002 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.5800000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 6.9900000000000002 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 1.6799999999999999 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.81999999999999995 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.1100000000000001 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.0099999999999998 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 1.2 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 2.4900000000000002 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.3899999999999997 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 1.5 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.57999999999999996 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.57999999999999996 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.501 HG13 ' CB ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 2.0800000000000001 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 1.6599999999999999 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 2.1099999999999999 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 2.1400000000000001 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.7799999999999998 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 5.0499999999999998 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 2.3599999999999999 110.418 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.96 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 4.3799999999999999 109.232 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 2.3500000000000001 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.2799999999999998 108.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 6.3799999999999999 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.87 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.8200000000000003 110.32 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.721 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.2999999999999998 108.322 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.1399999999999997 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 3.4900000000000002 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2000000000000002 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.97 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.6499999999999999 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 57' ' ' CYS . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 3.77 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.1900000000000004 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 4.4900000000000002 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 61' ' ' PHE . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.7599999999999998 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 4.3399999999999999 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 7.1900000000000004 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 6.3899999999999997 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 4.4000000000000004 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 5.0800000000000001 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.8 mt -41.23 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.9399999999999999 109.291 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.33 54.49 23.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.557 1.16 . . . . 3.9900000000000002 111.015 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . -174.66 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 3.9100000000000001 109.296 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -46.53 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.54 110.288 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -103.22 28.69 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 8.3399999999999999 110.415 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 70' ' ' ALA . 90.4 m -78.09 -60.77 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 9.6400000000000006 110.389 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 80' ' ' TYR . 2.4 ptt-85 -77.58 -16.91 58.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 10.199999999999999 110.292 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.97 22.32 15.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 9.3599999999999994 109.995 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -52.68 38.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 14.81 110.987 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.45 31.39 1.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 14.92 111.022 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 78' ' ' LEU . 5.9 mt -96.2 -48.33 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 17.789999999999999 109.246 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.61 -49.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 16.739999999999998 109.296 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' ARG . 57.9 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 17.289999999999999 111.055 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.897 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.902 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.046 -0.353 . . . . 6.7199999999999998 110.046 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 3' ' ' SER . 10.5 t-160 -121.98 163.19 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 7.9800000000000004 109.582 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.452 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 43.1 p 55.52 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 2.8799999999999999 109.964 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 3.2400000000000002 109.34 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.6600000000000001 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 3.1899999999999999 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 4.1600000000000001 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.452 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 2.02 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.97999999999999998 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 3.0699999999999998 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.4399999999999999 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.751 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 4.54 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 2.4700000000000002 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 2.1299999999999999 109.29 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 5.2400000000000002 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.8600000000000001 108.22 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.6400000000000001 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.888 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 2.5600000000000001 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.3099999999999996 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 2.3300000000000001 109.283 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 4.3899999999999997 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.7 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.66000000000000003 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 1.3999999999999999 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.8799999999999999 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 4.5599999999999996 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.97 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.55000000000000004 110.242 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 1.8100000000000001 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 1.73 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.99 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 4.2699999999999996 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.98 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 4.6900000000000004 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 2.75 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.6899999999999999 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.654 ' HA ' ' S3 ' ' A' ' 82' ' ' SF4 . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 5.1299999999999999 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.6899999999999999 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.8900000000000001 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 8.5999999999999996 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 5.4800000000000004 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.8100000000000001 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.3899999999999997 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 2.75 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.599 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 2.2599999999999998 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.8199999999999998 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 5.25 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.2300000000000004 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 4.8200000000000003 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 3.6099999999999999 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.515 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.6299999999999999 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 9.1999999999999993 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.8600000000000003 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 6.0199999999999996 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 5.4500000000000002 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.62 104.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 4.5700000000000003 109.281 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.77 76.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 6.1299999999999999 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' CA ' HG21 ' A' ' 73' ' ' THR . . . -156.82 -44.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 4.4900000000000002 109.265 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.18 -50.96 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 7.5199999999999996 110.234 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 p -84.16 11.89 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 11.51 110.382 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.479 HG21 ' CA ' ' A' ' 70' ' ' ALA . 6.6 t -98.68 -28.98 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 8.4800000000000004 110.371 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' N ' HG22 ' A' ' 73' ' ' THR . 0.2 OUTLIER -114.59 -31.03 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 12.93 110.354 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -103.74 -6.25 21.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.359999999999999 110.027 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' HB3' ' O ' ' A' ' 75' ' ' SER . 1.5 ttt 63.18 -65.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 15.32 111.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 169.63 -30.44 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 15.630000000000001 110.957 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -100.62 -44.7 5.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 17.73 109.366 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -40.53 -30.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 13.369999999999999 109.326 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 20.57 110.971 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.751 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.888 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.426 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 16.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.03 -0.359 . . . . 7.3700000000000001 110.03 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -163.01 174.01 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 6.7000000000000002 109.563 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p 60.51 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 2.5800000000000001 109.99 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 3.9399999999999999 109.283 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 4.29 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.489 ' CD1' ' OG ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 3.4300000000000002 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 3.7200000000000002 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.3599999999999999 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.895 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 1.96 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.71999999999999997 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.663 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 2.2799999999999998 109.3 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.56 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.3200000000000001 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.435 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 4.2699999999999996 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.945 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.9199999999999999 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 2.27 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 2.0299999999999998 109.31 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 3.8500000000000001 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.8200000000000001 109.281 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.666 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.77 108.304 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.86 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 2.6000000000000001 109.367 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.8300000000000001 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 2.9900000000000002 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.8799999999999999 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.4100000000000001 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 4.1799999999999997 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.74 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.68999999999999995 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.0700000000000001 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 1.24 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.77 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 5.9699999999999998 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.5700000000000001 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.56999999999999995 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.56999999999999995 110.258 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.8700000000000001 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 109.324 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.8100000000000001 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.79 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.77 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.6799999999999997 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 2.0800000000000001 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.1800000000000002 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.4100000000000001 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 2.1299999999999999 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 4.7199999999999998 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 2.3999999999999999 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.84 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.6099999999999999 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.93 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.119999999999999 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.5600000000000001 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.5899999999999999 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.8799999999999999 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.433 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.8600000000000001 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.6200000000000001 110.997 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 4.4800000000000004 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.0099999999999998 109.308 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 3.3199999999999998 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 1' ' ' SER . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 4.3600000000000003 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.5099999999999998 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 7.5599999999999996 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 4.5700000000000003 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 5.1600000000000001 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 4.5 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt -41.56 109.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 3.98 109.317 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.84 75.46 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.582 1.176 . . . . 4.0999999999999996 111.057 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.25 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 4.1299999999999999 109.265 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.5 mp0 -60.08 -148.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 6.3200000000000003 110.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.5 p 38.11 32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 8.9800000000000004 110.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' GLU . 16.8 m -102.48 -52.28 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 7.9500000000000002 110.391 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.78 -33.06 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 11.619999999999999 110.3 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.53 21.62 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 11.33 110.052 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtt -39.23 -47.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 10.369999999999999 110.996 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.568 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 148.54 42.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 12.94 110.93 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD21 ' C ' ' A' ' 77' ' ' GLY . 7.8 mt -110.56 -65.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 13.880000000000001 109.239 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -87.14 -38.35 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 15.039999999999999 109.285 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 16.609999999999999 110.955 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.945 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.86 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 54' ' ' GLU . 6.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.031 -0.359 . . . . 8.0700000000000003 110.031 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m170 69.36 137.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 8.9100000000000001 109.537 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p -36.0 152.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 3.8399999999999999 110.026 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 3.6499999999999999 109.277 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 6.0099999999999998 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 4.8799999999999999 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 4.1500000000000004 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.525 ' HA ' ' CG ' ' A' ' 61' ' ' PHE . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 1.9199999999999999 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.1299999999999999 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.644 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 2.4399999999999999 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.0800000000000001 111.025 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.46 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.4100000000000001 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.873 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 2.1800000000000002 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' CG2' ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 2.23 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 4.0599999999999996 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 2.0499999999999998 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.5900000000000001 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.878 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 2.8999999999999999 109.28 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.1100000000000003 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 2.7599999999999998 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 1.79 109.364 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 3.8599999999999999 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.8600000000000001 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.68000000000000005 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.5099999999999998 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 2.0800000000000001 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 3.0499999999999998 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.8399999999999999 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 2.1699999999999999 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.82999999999999996 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.78000000000000003 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 2.1699999999999999 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 2.0299999999999998 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.443 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.6499999999999999 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 2.23 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.79 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.9000000000000004 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 2.25 110.376 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.8900000000000001 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.5299999999999998 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.491 ' O ' ' CG1' ' A' ' 48' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 2.6499999999999999 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 4.9100000000000001 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 2.3599999999999999 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.1600000000000001 108.303 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 7.5599999999999996 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 5.46 110.281 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.804 ' N ' ' S1 ' ' A' ' 82' ' ' SF4 . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.9500000000000002 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.1600000000000001 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.54 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.91 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.3199999999999998 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.8100000000000001 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.3300000000000001 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 4.1600000000000001 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 4.6200000000000001 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 3.8900000000000001 109.249 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.5899999999999999 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 8.2699999999999996 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 5.7800000000000002 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 7.9000000000000004 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 8.9700000000000006 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.82 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.0800000000000001 109.331 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -46.41 -23.13 1.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 8.0199999999999996 110.959 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 67.29 -69.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 4.8300000000000001 109.305 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 69' ' ' GLY . 0.4 OUTLIER 63.49 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 6.9000000000000004 110.312 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.443 ' N ' ' OE2' ' A' ' 71' ' ' GLU . 20.4 p 38.37 30.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 8.4000000000000004 110.417 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLU . 4.1 t -117.5 -33.64 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 10.960000000000001 110.438 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 73' ' ' THR . 2.2 mtp180 -88.74 -25.0 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 16.309999999999999 110.274 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -122.38 1.26 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 9.6300000000000008 110.002 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 12.199999999999999 111.007 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 163.29 -27.55 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.474 1.109 . . . . 11.84 111.067 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -107.31 -47.48 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 13.859999999999999 109.309 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -39.06 -31.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 12.529999999999999 109.324 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 16.57 110.988 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.997 -0.372 . . . . 7.8300000000000001 109.997 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.559 ' CD2' ' HG3' ' A' ' 54' ' ' GLU . 10.8 m170 61.02 -178.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 7.4199999999999999 109.609 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER 81.24 163.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 2.7599999999999998 110.004 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 3.9900000000000002 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 4.1500000000000004 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 3.2599999999999998 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 3.7400000000000002 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.4500000000000002 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 2.0299999999999998 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 3.0699999999999998 109.299 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.5700000000000001 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 4.25 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.9 tt0 -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 1.72 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.653 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 2.1299999999999999 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 4.04 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.1899999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.5600000000000001 108.269 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.6200000000000001 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.879 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 3.5699999999999998 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.3300000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 1.004 ' CG2' ' S2 ' ' A' ' 82' ' ' SF4 . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.8900000000000001 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 2.54 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 4.3300000000000001 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 1.02 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.6299999999999999 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.4500000000000002 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.8400000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 2.77 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 5.0999999999999996 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.95 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.23 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.0700000000000001 110.309 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.523 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 1.75 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 1.8500000000000001 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.9399999999999999 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.7000000000000002 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 2.5299999999999998 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 5.3300000000000001 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 2.1600000000000001 110.391 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.8199999999999998 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.5899999999999999 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 5.0999999999999996 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 2.21 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.2599999999999998 108.281 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.9100000000000001 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 7.54 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' N ' ' S1 ' ' A' ' 82' ' ' SF4 . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.6400000000000001 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.559 ' HG3' ' CD2' ' A' ' 2' ' ' HIS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.7300000000000004 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.405 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.8500000000000001 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.5699999999999998 109.347 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 2.3999999999999999 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.9500000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 4.3600000000000003 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.8700000000000001 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 5.3099999999999996 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 1' ' ' SER . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.9399999999999999 109.284 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 4.7599999999999998 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 6.5499999999999998 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.8099999999999996 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 4.2400000000000002 109.259 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 4.71 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -40.24 -64.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 4.1699999999999999 109.234 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.34 67.28 3.11 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.414 1.071 . . . . 5.1500000000000004 110.976 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.43 -54.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 0.811 . . . . 4.0800000000000001 109.33 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -28.66 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 6.2300000000000004 110.285 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 p -79.33 48.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 8.5600000000000005 110.434 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -129.74 -47.39 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.594 1.184 . . . . 10.050000000000001 110.467 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.4 -14.78 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 10.83 110.366 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.17 8.2 29.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 8.2100000000000009 110.007 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -101.85 -35.63 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 13.98 110.977 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.44 29.1 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 13.460000000000001 111.005 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mt -108.31 -65.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 13.630000000000001 109.332 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.2 -57.12 2.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 16.140000000000001 109.316 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 76' ' ' MET . 16.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 17.440000000000001 111.043 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.653 ' S4 ' HG23 ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 1.004 ' S2 ' ' CG2' ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.973 -0.38 . . . . 6.29 109.973 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.485 ' CA ' HD13 ' A' ' 68' ' ' LEU . 3.5 m80 -134.28 167.39 20.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 6.3399999999999999 109.535 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' HIS . 18.1 p -36.0 141.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 2.73 109.99 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 3.0299999999999998 109.346 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 3.6299999999999999 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.7400000000000002 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 4.5 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.0699999999999998 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 1.96 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.598 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 2.48 109.27 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.1799999999999999 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.731 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.4199999999999999 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 4.46 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.0299999999999998 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 2.4199999999999999 109.359 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 3.1899999999999999 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 2.4100000000000001 109.248 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.791 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 2.0600000000000001 108.294 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.677 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 2.7200000000000002 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.4300000000000002 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.876 HG13 ' S3 ' ' A' ' 82' ' ' SF4 . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 3.21 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.864 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 2.0699999999999998 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 4.21 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.522 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 1.74 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.66000000000000003 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.0299999999999998 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 1.3 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 2.48 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.9500000000000002 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.8600000000000001 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.92000000000000004 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91000000000000003 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 1.6799999999999999 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 1.8100000000000001 109.305 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.48 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 1.74 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.6299999999999999 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 2.3599999999999999 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.9199999999999999 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.8899999999999999 110.424 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.5099999999999998 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.6400000000000001 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 2.3500000000000001 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 5.96 109.315 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.552 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 3.1800000000000002 110.979 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.85 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.7799999999999998 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.789999999999999 109.317 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 7.6699999999999999 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.3099999999999996 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.73 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.818 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.5099999999999998 109.303 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 108.253 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' HB ' ' A' ' 59' ' ' THR . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 6.7699999999999996 110.925 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 4.8799999999999999 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.4500000000000002 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 4.4199999999999999 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 3.8900000000000001 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.7199999999999998 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.7800000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 5.21 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 4.4299999999999997 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.9000000000000004 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.485 HD13 ' CA ' ' A' ' 2' ' ' HIS . 4.9 mt -38.45 -55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 4.3200000000000003 109.272 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 77.52 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 4.2000000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . . . -169.58 -52.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 4.7999999999999998 109.298 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -38.56 -65.71 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 7.1100000000000003 110.337 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -170.11 52.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 7.6600000000000001 110.436 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -80.49 -42.83 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 9.8699999999999992 110.378 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -17.96 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 11.43 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.74 -5.0 57.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 8.8900000000000006 109.983 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 106.28 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 12.880000000000001 111.027 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . 96.29 -1.93 62.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.448 1.093 . . . . 13.34 110.963 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -112.18 -33.84 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.756 . . . . 12.93 109.312 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 78' ' ' LEU . . . -121.11 -32.23 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 12.029999999999999 109.295 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 59.0 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 17.82 110.985 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.972 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.876 ' S3 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.008 -0.367 . . . . 7.0 110.008 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . 1.1 p-80 -159.88 165.12 32.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 6.7999999999999998 109.584 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' HIS . 52.9 p 60.3 146.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 3.6800000000000002 109.954 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 3.2200000000000002 109.326 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HE3' ' CD1' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.9800000000000004 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' CD1' ' HE3' ' A' ' 5' ' ' LYS . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 3.0299999999999998 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.5099999999999998 111.024 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.91 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 2.1200000000000001 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.71999999999999997 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.689 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 2.4399999999999999 109.319 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.6299999999999999 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.722 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 3.8199999999999998 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.843 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.9199999999999999 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 2.2999999999999998 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 2.3300000000000001 109.279 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 3.2400000000000002 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.6299999999999999 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 2.4399999999999999 108.256 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 2.0499999999999998 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' CB ' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 3.4399999999999999 109.303 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.4100000000000001 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 4.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD13 ' S2 ' ' A' ' 82' ' ' SF4 . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 2.1899999999999999 109.311 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.2200000000000002 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.9399999999999999 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' CG2' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.77 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.81999999999999995 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.8400000000000001 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 2.3300000000000001 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 2.75 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 5.1799999999999997 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 2.0899999999999999 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.442 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 1.04 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.68999999999999995 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.8500000000000001 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.71 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.75 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 2.2999999999999998 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 4.5300000000000002 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.96 110.427 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.5699999999999998 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.7199999999999998 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' O ' ' CB ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.8399999999999999 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.68 ' HA ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 9.5199999999999996 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' HG11 ' A' ' 48' ' ' VAL . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 3.5099999999999998 111.032 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.919 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.8900000000000001 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 7.46 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 5.2400000000000002 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.3599999999999999 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 4.4299999999999997 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.725 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.3700000000000001 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.5899999999999999 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 3.5800000000000001 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5800000000000001 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 3.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CD2' HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 4.3399999999999999 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.9900000000000002 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.9399999999999995 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 4.6900000000000004 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 4.6799999999999997 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.6799999999999997 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -49.25 131.85 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 3.7999999999999998 109.311 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.95 56.74 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 3.7799999999999998 111.023 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -148.34 -44.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.531 0.783 . . . . 4.04 109.208 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 72' ' ' THR . 2.2 mm-40 -56.21 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 6.9500000000000002 110.304 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 71' ' ' GLU . 15.0 t 50.4 20.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 7.3099999999999996 110.433 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.5 t -117.61 -31.52 5.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 9.4399999999999995 110.43 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -68.05 -33.63 74.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 13.6 110.228 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -129.88 9.99 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 11.85 110.067 179.921 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' A' ' 75' ' ' SER . 29.0 ttm 65.6 -59.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 12.210000000000001 111.051 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 179.65 42.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 10.630000000000001 110.996 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -106.62 -37.32 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 14.41 109.346 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' N ' HD11 ' A' ' 78' ' ' LEU . . . -155.93 -53.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 13.35 109.313 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 75' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 18.82 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' SF4 . . . . . 0.919 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.2 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.974 -0.38 . . . . 2.54 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 2.14 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.11 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 41' ' ' SER . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.21 109.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.86 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.93 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.772 HG21 HD12 ' A' ' 62' ' ' LEU . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.11 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' ILE . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.83 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.32 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.84 111.046 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.94 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 2.79 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.638 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.75 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' SG ' ' A' ' 16' ' ' CYS . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.99 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.71 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB1' ' HG3' ' A' ' 52' ' ' ARG . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.81 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 24' ' ' VAL . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.13 108.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.53 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.06 109.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 41' ' ' SER . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 1.8 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.12 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.31 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 2.61 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.64 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.82 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.08 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.76 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 0.93 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.04 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.67 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.55 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.7 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.65 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.58 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.64 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.68 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 1.16 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.583 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.28 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.06 111.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.38 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 44' ' ' THR . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.12 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.74 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.8 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.5 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.17 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.75 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.24 108.254 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.24 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HG3' ' HB1' ' A' ' 19' ' ' ALA . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 5.45 110.267 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.85 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.16 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 15' ' ' GLN . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.01 110.381 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.07 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.55 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.49 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.16 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.772 HD12 HG21 ' A' ' 9' ' ' THR . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.02 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.22 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.94 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 5.25 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.92 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 3' ' ' SER . 16.9 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 3.38 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 2.68 109.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.079 HG11 HD21 ' A' ' 25' ' ' LEU . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.56 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.96 109.347 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 2.32 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.16 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 9' ' ' THR . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.86 110.362 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 1.43 109.344 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.32 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.25 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2 110.237 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.91 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.95 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 2.75 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.82 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 24' ' ' VAL . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 108.34 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.74 109.237 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 20' ' ' CYS . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 2.19 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.079 HD21 HG11 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 1.12 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.74 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.91 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.75 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.21 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.15 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.93 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.82 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 0.92 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.45 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.85 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.71 110.277 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.809 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.81 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.63 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.49 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.09 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.49 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 3.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.7 110.429 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.17 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.93 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.92 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 3.38 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 1.93 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.67 108.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HG2' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 5.91 109.234 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 4.93 110.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.37 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.02 110.263 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.25 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 1.027 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.3 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.18 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 5.19 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.27 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 3.13 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.17 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.28 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 6.28 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 5.28 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 5.1 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.06 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.6 109.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.0 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.037 -0.357 . . . . 2.12 110.037 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 56' ' ' ALA . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.85 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.25 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 2.42 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.93 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.04 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.789 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 1.74 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.18 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.789 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.17 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 14' ' ' THR . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 2.59 110.356 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.33 110.277 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.75 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.91 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.01 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.417 ' SG ' HG12 ' A' ' 24' ' ' VAL . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 1.3 108.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 1.74 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.5 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.56 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 25' ' ' LEU . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 2.34 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.07 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 3.52 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.711 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.43 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.55 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.07 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.87 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.65 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.03 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.18 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.62 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.55 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54 110.343 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.53 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.43 109.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.9 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 2.1 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HG3' HG12 ' A' ' 28' ' ' VAL . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 1.6 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 6.92 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 1.11 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.72 108.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 3.31 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 1.83 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.93 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 6.96 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 5.46 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.715 ' SG ' HG21 ' A' ' 4' ' ' VAL . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.44 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.615 ' HG3' HD13 ' A' ' 68' ' ' LEU . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.33 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.27 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.32 109.324 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.29 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.46 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.746 HG23 ' OG ' ' A' ' 63' ' ' SER . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 2.86 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 2.54 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 2.57 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.746 ' OG ' HG23 ' A' ' 59' ' ' THR . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.02 109.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.03 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 3.85 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.29 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 3.91 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HG3' ' A' ' 54' ' ' GLU . 80.9 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 3.27 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.379 . . . . 2.71 109.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 56' ' ' ALA . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 2.78 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 5.72 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.67 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 2.78 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.41 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.08 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.83 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.3 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.14 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.33 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.514 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.15 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.89 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 1.09 109.357 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 3.65 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.76 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.45 108.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.02 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 1.67 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.57 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 44' ' ' THR . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 2.09 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 53' ' ' CYS . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.1 109.329 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.56 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.48 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.55 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.33 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.85 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 3.7 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.88 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.78 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.7 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.641 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.49 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.54 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.803 ' HB2' HG11 ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.19 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.2 110.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 1.76 111.049 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.32 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HG13 ' A' ' 24' ' ' VAL . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.36 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.44 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.17 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.59 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.1 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.47 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.05 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 6.75 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.58 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 55' ' ' THR . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.37 110.389 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.35 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.31 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.05 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 3.3 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.18 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 2.44 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 9' ' ' THR . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 3.14 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.09 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 5.99 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 3.97 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 4.67 109.369 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.756 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.01 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 3.73 109.245 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.003 -0.369 . . . . 2.62 110.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 2.36 109.291 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.39 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.92 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 2.72 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.05 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.89 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66 108.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.92 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.58 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.02 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.41 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.02 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 1.12 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 3.75 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB1' ' HG2' ' A' ' 52' ' ' ARG . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.87 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.2 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 2.64 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.775 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.34 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.35 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 6.3 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.62 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.8 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.82 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 1.32 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 5.9 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.78 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.64 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.62 110.308 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.62 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.51 109.31 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG11 ' A' ' 28' ' ' VAL . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.3 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 1.79 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 1.63 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.2 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.765 HG23 HG21 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.22 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.47 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.84 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.36 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 48' ' ' VAL . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.14 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.33 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.88 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 7.81 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 6.04 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.09 108.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.23 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' THR . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.25 110.391 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.28 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.0 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.45 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 2.72 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.92 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 4.75 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 6.27 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 4.47 110.291 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 3.66 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 3.61 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 3.53 109.274 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 14.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.013 -0.365 . . . . 2.1 110.013 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.795 HG21 HD21 ' A' ' 25' ' ' LEU . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.53 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 2.89 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 2.05 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 2.24 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 9' ' ' THR . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.83 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.81 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.755 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.36 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 3.08 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.85 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' HD13 ' A' ' 25' ' ' LEU . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.86 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 1.18 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 2.63 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.35 108.364 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.63 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.06 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.16 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.75 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.795 HD21 HG21 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.1 109.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.99 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 2.65 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG22 HG22 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.64 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.76 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 0.82 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.77 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.12 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.78 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.8 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.61 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.69 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.64 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.29 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.97 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 2.19 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.19 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 44' ' ' THR . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.02 110.422 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.14 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.009 ' HB2' HG21 ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 1.77 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.12 109.268 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.54 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.3 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 6.42 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.09 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.16 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 2.74 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 55' ' ' THR . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.12 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.42 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.38 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 3.72 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.14 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.95 109.247 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 3.63 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 6.99 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 4.44 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.13 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 3.7 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 3' ' ' SER . 47.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 3.47 109.289 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.532 ' N ' HD23 ' A' ' 68' ' ' LEU . 9.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.033 -0.358 . . . . 2.63 110.033 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 2.85 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 3.55 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 2.39 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.734 ' HA ' HG21 ' A' ' 38' ' ' ILE . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.49 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.592 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.31 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' CB ' HG13 ' A' ' 38' ' ' ILE . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 2.19 109.344 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.56 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.665 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 1.42 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 2.52 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.31 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.631 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.76 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 39' ' ' ALA . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.07 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.75 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.91 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 25' ' ' LEU . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.21 108.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.66 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.37 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 47' ' ' CYS . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 1.79 109.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.86 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.62 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.89 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.59 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.81 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.9 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 0.72 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.2 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.15 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.67 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.59 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.57 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.8 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.47 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.459 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.73 110.031 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.02 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 1.53 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 6.54 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 1.28 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.53 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.32 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.06 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 1.93 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.08 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 6.78 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.16 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.984 ' O ' HG23 ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.38 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 2.92 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 55' ' ' THR . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.33 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.3 108.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' C ' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 2.88 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 4.11 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 2.89 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 2.52 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.42 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.19 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.19 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 3.4 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 4.26 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 3' ' ' SER . 1.4 mm? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.1 109.242 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' TYR . 28.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 2.3 110.018 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 56' ' ' ALA . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 2.88 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 3.39 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 2.1 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 3.19 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.28 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.89 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.37 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.19 110.997 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.38 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.07 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.09 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.64 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.94 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG23 ' SG ' ' A' ' 16' ' ' CYS . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.14 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.1 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.925 ' SG ' HG12 ' A' ' 24' ' ' VAL . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.89 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.4 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.14 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.62 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.925 HG12 ' SG ' ' A' ' 20' ' ' CYS . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.3 109.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.16 109.314 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.15 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 2.82 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.61 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.02 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.97 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 0.73 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 0.92 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 3.95 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.93 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.77 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.48 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.53 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.92 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.74 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.82 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 4.63 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 1.7 110.42 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.53 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.81 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.15 108.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.91 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.36 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.63 108.347 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 6.36 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.56 110.369 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.32 108.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.62 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 2.88 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 2.83 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 6.34 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.12 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.51 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 61' ' ' PHE . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 4.63 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.46 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 5.84 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 4.84 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 66' ' ' VAL . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 3.7 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.57 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.16 109.281 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.7 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.996 -0.372 . . . . 2.24 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 3.2 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.7 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 2.73 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 2.51 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.32 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 9' ' ' THR . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.02 110.406 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.19 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 1.25 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.57 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 3.67 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.16 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 0.75 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' SG ' ' A' ' 16' ' ' CYS . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.97 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 2.66 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.15 108.314 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 47' ' ' CYS . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.14 109.35 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 47' ' ' CYS . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.76 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 16' ' ' CYS . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.91 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.08 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 2.64 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.64 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.59 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.75 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.09 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.11 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.87 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 1.08 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 3.54 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.74 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.61 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.64 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.51 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.53 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB2' HG11 ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.91 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.18 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 1.77 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 4.28 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 HG11 ' A' ' 24' ' ' VAL . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 1.34 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.16 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.07 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.72 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 48' ' ' VAL . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.42 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 1.83 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.99 108.32 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 5.93 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 5.41 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.09 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 2.86 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.44 108.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 2.78 110.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.0 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.619 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.39 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 59' ' ' THR . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 3.4 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 64' ' ' ILE . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.67 109.994 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.733 HD12 ' HB3' ' A' ' 63' ' ' SER . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 6.16 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HG2' HG22 ' A' ' 64' ' ' ILE . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.1 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 3.53 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 4.77 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.14 109.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.401 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.023 -0.362 . . . . 2.68 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.63 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.03 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.21 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 2.09 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.33 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 9' ' ' THR . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.84 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 11' ' ' ILE . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.36 109.339 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.15 108.268 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 2.7 110.389 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.15 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.15 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG12 ' HB1' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 2.5 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.28 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.93 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.07 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.65 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' ASP . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.69 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.53 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 47' ' ' CYS . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.68 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD21 HG11 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.92 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' VAL . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.66 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.2 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.8 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.05 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.61 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.67 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.02 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 1.24 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 5.95 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.73 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.65 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.74 110.371 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.021 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.68 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.52 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.35 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.76 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.13 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 4.65 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 44' ' ' THR . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.36 110.466 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.85 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.727 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.67 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.914 ' HB2' HG21 ' A' ' 24' ' ' VAL . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.32 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 2.97 109.226 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.59 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.44 108.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.12 110.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.03 108.268 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.44 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 2.26 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.6 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.29 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 3.58 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.87 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 3.65 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.27 109.278 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.9 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 8.34 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 3.78 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 5.67 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 4.31 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 3' ' ' SER . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.29 109.349 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.011 -0.366 . . . . 2.46 110.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 2.59 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.01 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.14 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 2.63 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.489 ' CB ' ' HB2' ' A' ' 61' ' ' PHE . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.11 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 1.49 109.339 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.34 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 3.14 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.803 ' O ' HD13 ' A' ' 25' ' ' LEU . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 1.06 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 17' ' ' VAL . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.33 109.336 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 3.61 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.84 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.13 108.309 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.67 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.71 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.67 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 41' ' ' SER . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 1.64 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.26 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.95 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.44 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.6 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 38' ' ' ILE . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.08 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.84 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.64 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 0.89 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 3.78 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.72 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.56 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.7 110.287 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.74 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.55 109.366 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.94 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 2.18 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 1.66 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 3.31 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 44' ' ' THR . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.15 110.381 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.64 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.32 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 48' ' ' VAL . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.22 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.58 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.18 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ARG . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 7.88 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 5.95 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.24 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.38 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.2 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.41 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.44 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.46 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 63' ' ' SER . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 2.81 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.31 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 2.76 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 63' ' ' SER . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.92 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.633 ' HB3' HG23 ' A' ' 59' ' ' THR . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 4.14 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 6.53 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 4.95 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.17 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.55 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.69 109.255 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.995 -0.372 . . . . 2.56 109.995 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 3.25 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.82 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 2.66 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 2.57 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' THR . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.98 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.26 109.324 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.43 110.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' THR . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.09 110.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.17 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.85 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG23 ' SG ' ' A' ' 16' ' ' CYS . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 1.14 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 3.42 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.02 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 24' ' ' VAL . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.01 108.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.38 110.951 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 1.58 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 25' ' ' LEU . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 2.8 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.9 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.55 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 2.71 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.63 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.76 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.16 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.13 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.69 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 1.02 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 3.44 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.76 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.68 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.61 110.384 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.58 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.52 109.363 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.09 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.12 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 1.95 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.37 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.29 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.63 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.22 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.51 108.333 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' O ' HG12 ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 3.3 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.42 111.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 5.72 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' CD ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 5.3 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.636 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.38 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.18 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 53' ' ' CYS . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 3.16 110.336 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.24 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.34 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.48 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 4.29 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 2.7 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.17 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 4.75 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 62' ' ' LEU . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 6.46 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 3.66 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.31 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.48 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.5 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 3.24 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.012 -0.366 . . . . 3.67 110.012 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.811 HG21 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 3.93 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 4.77 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 7.62 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 3.91 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.63 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 9' ' ' THR . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.68 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.35 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.65 109.338 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.83 108.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 2.94 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.863 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.05 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 ' SG ' ' A' ' 16' ' ' CYS . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.37 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 2.28 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.4 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.4 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 2.8 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.06 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HD12 ' A' ' 22' ' ' LEU . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.38 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 1.24 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.83 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 38' ' ' ILE . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.56 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.74 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.74 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.19 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 1.7 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.57 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.66 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.09 110.339 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.616 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.16 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.22 109.259 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.29 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.24 109.989 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 3.38 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 3.43 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' CYS . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 1.43 110.427 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.8 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.62 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.34 108.355 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 2.98 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.48 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' LYS . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.55 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.77 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' C ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.23 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.85 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.93 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' OG1' ' A' ' 55' ' ' THR . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.05 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.49 108.222 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 4.41 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 5.52 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 4.22 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 58' ' ' PRO . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 3.45 109.252 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 5.47 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 6.91 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 5.95 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 5.99 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HG12 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 5.3 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.811 HD23 HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 4.18 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.056 -0.35 . . . . 6.38 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 4' ' ' VAL . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.09 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 8.03 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 2.22 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.94 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 0.99 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.9 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.43 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.56 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.67 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 3.98 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 55' ' ' THR . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.87 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 1.11 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 39' ' ' ALA . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 1.04 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 2.51 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.76 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.544 ' SG ' HG12 ' A' ' 24' ' ' VAL . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.14 108.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.05 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.06 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 44' ' ' THR . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 2.06 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.6 109.248 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 2.73 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.84 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.87 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.42 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.89 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 1.24 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 3.71 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.11 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.01 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.14 110.295 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.81 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.7 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.03 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.88 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.561 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 1.59 111.032 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.07 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.731 HG23 HG21 ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.97 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.01 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.17 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.66 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.11 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.41 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.9 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HG3' HD11 ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 5.59 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 5.9 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.01 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.51 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.574 ' O ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.53 108.279 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.1 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.486 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 2.95 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 3.16 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.52 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 6.66 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 6.07 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 6.6 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.605 ' CE1' HD13 ' A' ' 62' ' ' LEU . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 10.04 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 3.89 109.323 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.057 -0.349 . . . . 2.38 110.057 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 2.55 109.302 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.02 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 4.49 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 2.19 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.06 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.79 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.84 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 1.67 109.251 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 3.21 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.16 110.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.95 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.19 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.08 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 1.72 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.657 ' SG ' HD12 ' A' ' 25' ' ' LEU . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.18 108.244 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 2.4 109.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 47' ' ' CYS . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 2.75 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.16 109.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.68 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 2.83 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.53 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.68 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.09 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.67 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 0.91 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 6.11 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.66 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.55 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.78 110.318 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.69 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.53 109.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.92 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.662 ' O ' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.47 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 1.87 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 3.24 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.11 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.09 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.687 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 2.82 108.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 48' ' ' VAL . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 6.37 109.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 2.81 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 51' ' ' LYS . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.57 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 10.88 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.08 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.15 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 2.24 110.419 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 4' ' ' VAL . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.32 109.301 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.39 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.28 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 3.18 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.92 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 2.46 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 2.79 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.04 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 59' ' ' THR . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 7.3 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 5.13 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CA ' ' HB2' ' A' ' 3' ' ' SER . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.32 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 3.54 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 4.14 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.01 -0.367 . . . . 2.32 110.01 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 2.19 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 40' ' ' SER . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 2.11 109.341 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 2.77 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.523 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.95 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.8 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 2.13 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.31 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.657 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 2.81 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.49 ' HG3' HG21 ' A' ' 55' ' ' THR . 0.0 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.24 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.81 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.9 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 2.86 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.6 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' HG12 ' A' ' 24' ' ' VAL . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 1.2 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.84 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.44 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 20' ' ' CYS . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.27 109.263 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' CYS . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.14 109.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.17 110.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.78 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.56 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.8 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.05 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.83 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.16 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 3.67 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.78 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.76 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.61 110.308 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.682 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.6 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.51 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.06 110.031 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.78 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 1.53 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 3.85 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.11 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.15 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.13 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.29 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.1 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.09 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.94 108.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.15 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 5.21 110.341 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.53 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 56' ' ' ALA . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.62 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' N ' HG23 ' A' ' 55' ' ' THR . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.22 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.33 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 4.76 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.66 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 2.48 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.24 109.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.38 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 6.6 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 5.86 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 3.55 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 3.5 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' SER . 41.1 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 3.36 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.943 -0.391 . . . . 4.82 109.943 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.48 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.88 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 2.54 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.41 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.9 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.415 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.85 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 1.45 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.626 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 2.81 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 55' ' ' THR . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.82 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.719 ' O ' HD22 ' A' ' 25' ' ' LEU . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.11 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.98 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 3.39 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.08 109.27 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB2' HD12 ' A' ' 25' ' ' LEU . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.29 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.83 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 47' ' ' CYS . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 1.79 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.53 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.12 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.11 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.05 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 2.54 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.43 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.7 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.14 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.7 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.2 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.73 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.66 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.7 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.8 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.46 109.274 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.97 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.13 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 1.9 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 4.39 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.2 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.59 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.15 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.838 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.08 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.63 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' LYS . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.26 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 9.95 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 10.91 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.24 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 1.97 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 62' ' ' LEU . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.19 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.62 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 3.74 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.44 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 3.05 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 3.21 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.662 ' C ' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.46 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' C ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 8.11 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.01 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 3.7 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 4.69 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 2.89 109.309 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.973 -0.38 . . . . 2.83 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 56' ' ' ALA . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.83 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 4.34 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 40' ' ' SER . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 2.06 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.89 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.71 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.65 109.312 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.41 110.959 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 3.2 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.53 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.02 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 25' ' ' LEU . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.14 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 2.49 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.64 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.17 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.43 109.218 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.85 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HB2' ' A' ' 47' ' ' CYS . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.19 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.11 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 4.94 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.54 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.64 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.82 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.49 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.83 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 1.38 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 3.37 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.98 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.985 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.52 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.69 109.314 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.723 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.06 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.64 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 2.38 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 3.67 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.93 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.62 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.97 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.891 ' HB2' HG21 ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.42 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 49' ' ' GLY . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.14 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.36 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 6.16 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 6.23 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.01 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.52 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.663 HG23 ' HG3' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.32 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.38 109.231 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.76 ' C ' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.2 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.26 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 2.3 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 ' C ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 2.77 109.313 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.1 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 65' ' ' ARG . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 6.28 109.202 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 3.82 110.29 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.32 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.73 111.034 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 3.56 109.288 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.368 . . . . 2.45 110.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 56' ' ' ALA . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 2.62 109.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 3.78 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 2.05 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 3.11 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.684 HG21 HD22 ' A' ' 62' ' ' LEU . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.44 110.442 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 1.42 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.14 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.36 108.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 3.3 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.17 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.08 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.958 HG21 ' HB1' ' A' ' 39' ' ' ALA . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 1.77 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.25 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.57 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.37 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.85 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 22' ' ' LEU . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.61 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.28 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.86 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG22 ' A' ' 17' ' ' VAL . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.03 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.94 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 2.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.46 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.64 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.65 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.9 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.78 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 1.42 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 6.12 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.97 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.84 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.89 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.66 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.958 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.52 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.04 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 3.19 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 2.35 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 4.3 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.18 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.03 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.775 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.56 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.754 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.72 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 3.58 109.28 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.13 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.84 108.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.11 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 5.37 110.216 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.47 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 2.14 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.13 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 4.98 110.971 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.49 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 2.7 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.35 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 4.87 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 58' ' ' PRO . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.09 109.338 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 5.23 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 3.48 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 3.92 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 26.1 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.992 -0.373 . . . . 5.47 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.745 HG12 ' HB2' ' A' ' 56' ' ' ALA . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 2.82 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 2.97 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 2.12 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 2.26 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' THR . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.78 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.73 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 1.5 109.344 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.67 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.411 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 3.91 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.627 ' O ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.16 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 2.49 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 1.65 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 25' ' ' LEU . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.24 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.49 111.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.58 109.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.3 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB2' ' A' ' 47' ' ' CYS . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 3.06 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD21 HG11 ' A' ' 4' ' ' VAL . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.13 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.12 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 2.79 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.54 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.58 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.11 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.07 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 0.7 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 0.98 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.19 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.76 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.64 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78 110.349 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 0.64 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.52 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.87 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 2.31 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 1.57 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 2.93 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 1.03 110.409 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.01 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.67 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.722 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.42 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 3.87 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 2.72 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.18 108.312 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 5.96 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.97 110.28 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.66 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.9 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.39 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.745 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.24 109.269 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.84 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.4 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 63' ' ' SER . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 3.71 110.414 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.16 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 2.85 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 3.79 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.57 ' CB ' HG23 ' A' ' 59' ' ' THR . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 3.51 110.028 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' HD3' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 5.86 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 4.39 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.05 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 5.6 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 68' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 4.79 109.286 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.99 -0.374 . . . . 2.27 109.99 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 2.6 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 4.22 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.99 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.38 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.07 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 9' ' ' THR . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.02 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 1.75 109.297 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.32 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 2.84 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.06 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.668 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.89 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.22 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 2.81 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.62 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' A' ' 24' ' ' VAL . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 1.43 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 1.87 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.58 109.306 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.81 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG11 HG23 ' A' ' 44' ' ' THR . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.95 109.332 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.63 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.92 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 2.97 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.49 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.62 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.17 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.07 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 0.73 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 1.1 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 3.43 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.67 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.57 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56 110.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.6 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.64 109.283 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.3 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.95 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.34 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.88 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.563 HG23 HG11 ' A' ' 24' ' ' VAL . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.1 110.42 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.19 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.33 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.74 108.31 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 3.86 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.61 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.25 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 8.82 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 9.77 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 2.92 108.318 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 4.39 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 2.85 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 2.3 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.55 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.43 111.043 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.15 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' H ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.78 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 2.34 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 2.82 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 4.28 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 64' ' ' ILE . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 6.43 109.315 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 4.83 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 3.41 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.15 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.092 -0.336 . . . . 2.77 110.092 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 3.49 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 3.62 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 1.92 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 2.36 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.24 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.518 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.26 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 1.36 109.319 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.35 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 3.52 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.12 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 1.11 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.18 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.3 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.65 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.16 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.66 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.37 109.329 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.89 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 25' ' ' LEU . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.22 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' H ' HG12 ' A' ' 24' ' ' VAL . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.32 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.75 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.82 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.84 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.14 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.34 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 0.82 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 1.06 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.95 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.87 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.79 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.66 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.019 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.56 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.5 109.285 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.07 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 2.32 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 1.6 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 3.57 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 1.06 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.53 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 24' ' ' VAL . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.38 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 2.97 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.52 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.32 108.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.01 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.68 110.27 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.18 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.42 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.8 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.93 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.33 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.57 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.27 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 3.01 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 2.66 109.29 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 4.55 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.03 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 5.17 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 3.31 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 3.56 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.83 109.359 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.957 -0.386 . . . . 3.13 109.957 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 2.25 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.04 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.01 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 2.98 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.1 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.46 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.83 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 4.33 110.375 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 3.9 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.69 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' O ' HD22 ' A' ' 25' ' ' LEU . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.27 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 1.04 109.281 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 2.74 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.82 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.04 108.248 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 1.59 109.284 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.3 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' OG ' ' A' ' 41' ' ' SER . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.95 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.12 109.272 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.37 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 2.58 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.778 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.45 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.64 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.33 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.07 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.73 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.05 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 3.68 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.95 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.78 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78 110.285 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.5 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 0.7 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.97 110.048 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.513 ' OG ' HG12 ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 1.89 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 1.61 110.996 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 2.84 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 1.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.41 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.78 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.36 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 3.32 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 1.71 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.37 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.03 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 5.81 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.31 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.06 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.68 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.24 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 2.99 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 3.52 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.76 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 2.61 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.71 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 5.27 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 65' ' ' ARG . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.27 109.239 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 3.92 110.289 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.23 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 3.91 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 3.41 109.345 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.378 . . . . 2.44 109.978 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 2.65 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 2.91 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 2.18 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 2.32 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.06 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 1.46 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.94 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG21 ' OD2' ' A' ' 60' ' ' ASP . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.37 109.299 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.4 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 3.78 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.95 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 25' ' ' LEU . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.03 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 2.4 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.67 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.34 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 1.42 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.92 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.94 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.42 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.928 HG21 ' HB2' ' A' ' 47' ' ' CYS . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.91 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 16' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.17 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.58 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 5.92 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.6 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.74 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.11 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.01 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.72 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 0.91 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 3.76 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.63 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.54 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.58 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.67 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.63 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.64 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 1.8 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 4.07 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 44' ' ' THR . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 1.49 110.418 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.928 ' HB2' HG21 ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.31 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' VAL . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 3.34 109.232 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 1.89 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.28 108.289 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 5.96 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.2 110.32 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.93 108.322 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.14 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 2.65 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.69 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.43 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 62' ' ' LEU . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.92 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.19 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 3.03 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 62' ' ' LEU . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.18 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 3.66 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 6.5 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 5.58 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 3.48 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.04 109.291 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.964 -0.384 . . . . 2.23 109.964 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 68' ' ' LEU . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 2.2 109.34 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.01 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 2.11 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.8 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.89 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.812 HG21 HD23 ' A' ' 62' ' ' LEU . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 1.54 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.98 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 1.91 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.44 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.45 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.776 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.17 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' LEU . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.91 109.29 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 4.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.47 108.22 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.64 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 1.73 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.31 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.04 109.283 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.56 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 3.46 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.46 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.61 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.86 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.1 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 3.55 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.78 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.67 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.54 110.242 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.49 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 0.5 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.01 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 3.32 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.23 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 3.76 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 1.68 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.69 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.817 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.77 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 3.97 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.33 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.89 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 7.77 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 4.63 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.81 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.39 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 1.95 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.95 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.7 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.44 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 4.27 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.23 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 3.7 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 2.66 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.63 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 8.04 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.25 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 5.04 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 4.39 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 HG12 ' A' ' 4' ' ' VAL . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 3.4 109.281 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.99 -0.374 . . . . 2.08 109.99 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 56' ' ' ALA . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.82 109.283 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 3.46 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 2.16 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 2.4 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.36 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.549 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.85 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.72 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG21 ' CG ' ' A' ' 60' ' ' ASP . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.38 109.3 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.07 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.32 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 14' ' ' THR . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.23 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.92 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.13 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 17' ' ' VAL . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.96 109.31 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 2.91 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.75 109.281 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.12 108.304 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 1.83 109.367 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.83 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.88 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.99 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 3.18 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.51 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.61 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.07 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.69 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.01 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.92 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.63 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.55 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.55 110.258 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.683 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.5 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.49 109.324 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.36 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.09 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.03 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 1.6 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.18 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.41 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.37 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 3.72 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.96 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.61 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.06 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 9.15 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.56 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.59 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.3 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.29 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.855 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.62 110.997 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 3.34 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.01 109.308 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 2.22 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 58' ' ' PRO . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 3.4 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.51 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 6.59 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.55 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 4.12 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 3.56 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 2.9 109.317 -179.953 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.026 -0.361 . . . . 2.85 110.026 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 4' ' ' VAL . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 2.59 109.277 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 4.98 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 3.86 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 2.75 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.99 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.13 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.4 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.08 111.025 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.39 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.01 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.95 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.863 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.23 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.863 HG23 ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.28 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 3.13 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 1.06 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.59 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.66 109.28 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.11 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 ' HB2' ' A' ' 47' ' ' CYS . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.93 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' SG ' ' A' ' 16' ' ' CYS . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.87 109.364 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 2.91 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.61 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.62 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.51 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 1.25 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 1.7 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.21 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.97 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.76 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.73 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.74 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.83 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.92 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 1.98 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.16 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.14 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 44' ' ' THR . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 1.35 110.376 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.89 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.53 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.966 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.95 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 3.86 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 1.8 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.16 108.303 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 6.73 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 4.98 110.281 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.95 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.16 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.03 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.3 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.5 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.33 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 3.57 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 3.15 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' OG ' ' A' ' 3' ' ' SER . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 2.94 109.249 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.33 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 7.51 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 4.75 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 6.78 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 7.58 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.08 109.331 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.004 -0.369 . . . . 2.18 110.004 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 2.86 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.38 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 2.5 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 2.36 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.45 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 1.3 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.09 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 1.98 109.299 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.57 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 3.59 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.95 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 39' ' ' ALA . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 1.21 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 3.24 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.19 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.34 108.269 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.62 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.89 HD12 ' H ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 2.62 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.33 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.13 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 1.77 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.14 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.69 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.91 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.63 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.45 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.35 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 1.36 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 4.23 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.32 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.21 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.01 110.309 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.013 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.55 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.5 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.08 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.34 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 1.85 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 4.4 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 1.09 110.391 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.43 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.82 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.89 ' H ' HD12 ' A' ' 22' ' ' LEU . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.88 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 4.25 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 1.7 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.26 108.281 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.37 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 6.33 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.671 ' O ' HG22 ' A' ' 55' ' ' THR . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.64 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.73 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.24 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.47 109.347 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.58 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.95 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 3.52 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.87 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 3.88 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 56' ' ' ALA . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.2 109.284 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 3.76 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 5.65 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.27 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 3.3 109.259 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.72 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 3.2 109.234 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 67' ' ' TYR . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.99 -0.374 . . . . 2.51 109.99 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.17 109.346 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 2.96 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 3.09 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.07 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.815 HG21 ' HG ' ' A' ' 62' ' ' LEU . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.9 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.84 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 1.41 109.27 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.18 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.42 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.33 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.03 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' HD22 ' A' ' 25' ' ' LEU . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.83 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 17' ' ' VAL . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.26 109.359 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.35 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 51' ' ' LYS . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 1.57 109.248 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.776 ' SG ' HD12 ' A' ' 25' ' ' LEU . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.3 108.294 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.92 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' SG ' ' A' ' 20' ' ' CYS . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.28 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.776 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.09 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 3.17 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.7 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.46 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.61 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.03 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 0.88 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 1.14 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.25 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.02 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.9 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.7 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.77 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.59 109.305 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB2' HG11 ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 0.92 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.11 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 1.75 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.31 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 44' ' ' THR . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.02 110.424 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.51 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.64 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.79 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 48' ' ' VAL . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 4.94 109.315 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 2.68 110.979 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.78 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.06 109.317 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 6.96 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.31 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.22 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.18 109.303 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.708 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.08 108.253 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 5.38 110.925 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 3.8 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.45 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 3.11 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HG ' HG21 ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.9 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.45 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.17 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.45 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.67 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.05 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 3.31 109.272 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.954 -0.388 . . . . 3.47 109.954 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 68' ' ' LEU . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 2.28 109.326 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HE3' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.03 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 2.09 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.25 111.024 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.765 HG21 HD11 ' A' ' 62' ' ' LEU . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.01 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.72 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.33 109.319 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.63 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 2.88 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.92 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 1.09 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' VAL . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.24 109.279 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 2.51 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.63 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 24' ' ' VAL . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.45 108.256 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HG3' ' CD ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 1.9 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 2.03 109.303 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.41 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG11 ' SG ' ' A' ' 47' ' ' CYS . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 2.58 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 16' ' ' CYS . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.17 109.311 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.22 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.03 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.62 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.67 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.84 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 1.57 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 1.77 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 4.36 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.15 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.94 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.67 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.87 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.66 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.03 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 1.8 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 3.52 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' THR . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.04 110.427 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.57 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.72 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.732 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.44 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 8.5 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 2.24 111.032 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.89 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 6.75 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' HG3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 4.77 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.019 ' O ' HG23 ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.36 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.52 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.19 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.2 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 2.92 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.58 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 2.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.765 HD11 HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 3.21 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.14 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.1 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 3.85 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 3.79 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.06 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 2.85 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.028 -0.36 . . . . 6.09 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.8 p-80 -144.9 144.95 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 6.07 109.641 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.2 t 57.29 164.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.54 109.974 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 2.14 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.11 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 41' ' ' SER . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.21 109.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.86 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.93 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.772 HG21 HD12 ' A' ' 62' ' ' LEU . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.11 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.83 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.853 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.32 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.84 111.046 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.94 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 2.79 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.932 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.75 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' SG ' ' A' ' 16' ' ' CYS . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.99 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.71 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB1' ' HG3' ' A' ' 52' ' ' ARG . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.81 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 24' ' ' VAL . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.13 108.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.53 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.973 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.06 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 41' ' ' SER . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 1.8 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.12 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.31 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 2.61 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.64 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.82 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.08 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.76 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 0.93 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.04 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.67 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.55 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.7 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.65 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.58 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.64 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.68 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 1.16 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.583 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.28 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.06 111.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.38 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 44' ' ' THR . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.12 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.74 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.8 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.5 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.17 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.75 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.666 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.24 108.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.24 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.843 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 5.45 110.267 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.85 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.16 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 15' ' ' GLN . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.01 110.381 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.773 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.07 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.55 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.49 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.16 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.772 HD12 HG21 ' A' ' 9' ' ' THR . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.02 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.22 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.94 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 5.25 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' CB ' ' A' ' 70' ' ' ALA . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.92 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.9 mt -43.31 124.24 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 3.38 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 36.89 51.86 1.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 3.69 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.576 ' CB ' HG12 ' A' ' 66' ' ' VAL . . . -122.75 -64.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 3.62 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.4 tp10 -98.07 -58.14 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 9.08 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' GLU . 32.6 p 38.4 48.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 5.35 110.363 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -111.71 -54.56 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 8.15 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -22.23 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 11.96 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' MET . 4.7 t -106.03 21.27 17.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 10.32 109.96 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.51 -62.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 9.28 110.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -176.58 -38.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 13.52 111.014 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.01 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 14.28 109.326 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -42.82 -30.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 12.57 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 17.96 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.932 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.973 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.416 ' H2 ' ' HB2' ' A' ' 54' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.018 -0.364 . . . . 8.13 110.018 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.94 ' CB ' HD21 ' A' ' 62' ' ' LEU . 10.8 m-70 -149.57 138.14 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 6.67 109.634 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -66.7 171.44 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 2.68 109.993 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.079 HG11 HD21 ' A' ' 25' ' ' LEU . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.56 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.96 109.347 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 2.32 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.16 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.671 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.86 110.362 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 1.43 109.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.32 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.25 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.872 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2 110.237 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.91 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.95 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 2.75 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.82 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 24' ' ' VAL . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 108.34 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.864 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.74 109.237 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.747 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 2.19 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.079 HD21 HG11 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 1.12 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.74 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.91 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.75 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.21 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.15 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.93 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.82 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 0.92 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.45 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.85 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.71 110.277 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.809 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.81 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.63 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.49 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.09 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.49 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 3.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.7 110.429 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.17 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.93 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.92 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 3.38 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 1.93 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.896 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.67 108.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HG2' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 5.91 109.234 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.704 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 4.93 110.311 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.37 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.02 110.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.25 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 1.027 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.33 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.3 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.18 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 5.19 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.27 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 3.13 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.94 HD21 ' CB ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.17 109.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.28 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 6.28 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 5.28 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 5.1 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.06 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -39.82 101.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.6 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.54 56.92 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 5.87 111.042 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.84 -43.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 5.3 109.362 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -43.96 -41.81 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 5.63 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 76' ' ' MET . 19.5 p 39.48 50.49 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 9.21 110.473 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -76.8 -32.91 57.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 7.49 110.434 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -18.64 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 15.5 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -115.45 8.96 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 15.11 109.993 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -35.69 -58.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 13.71 110.974 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.597 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -178.86 -39.2 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 17.17 110.978 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -109.44 -48.43 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 0.832 . . . . 15.97 109.255 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.765 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -41.6 -31.11 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 15.69 109.226 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 22.14 111.038 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.908 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.975 -0.38 . . . . 7.25 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 30.8 m80 -74.0 -165.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 6.34 109.617 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.426 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.0 t 64.11 149.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 2.12 110.037 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 56' ' ' ALA . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.85 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.25 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 2.42 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.93 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.794 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.04 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.079 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 1.74 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.18 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.789 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.17 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 14' ' ' THR . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 2.59 110.356 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.33 110.277 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.75 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.91 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.01 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.689 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 1.3 108.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 1.74 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.024 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.5 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.56 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.863 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 2.34 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.07 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 3.52 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.711 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.43 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.55 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.07 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.87 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.65 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.03 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.18 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.62 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.55 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54 110.343 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.53 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.43 109.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.9 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 2.1 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HG3' HG12 ' A' ' 28' ' ' VAL . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 1.6 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 6.92 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 1.11 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.72 108.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 3.31 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 1.83 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.93 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.891 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 6.96 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 5.46 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.715 ' SG ' HG21 ' A' ' 4' ' ' VAL . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.44 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.615 ' HG3' HD13 ' A' ' 68' ' ' LEU . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.33 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.27 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.32 109.324 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.29 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.46 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.746 HG23 ' OG ' ' A' ' 63' ' ' SER . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 2.86 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 2.54 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 2.57 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.746 ' OG ' HG23 ' A' ' 59' ' ' THR . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.02 109.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.03 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 3.85 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.29 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 3.91 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HG3' ' A' ' 54' ' ' GLU . 80.9 mt -39.51 112.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 3.27 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.05 72.03 0.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 3.93 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' THR . . . -166.71 -53.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 3.11 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' THR . 10.1 pt-20 -42.51 -45.04 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.177 . . . . 6.08 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . 70.8 p 37.64 65.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 6.12 110.461 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -113.58 -29.54 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 7.94 110.418 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -94.73 -22.58 18.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 11.65 110.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -119.04 8.25 11.55 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 11.87 109.988 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.5 ttm -35.86 -59.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 10.09 111.016 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.796 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 174.22 40.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.125 . . . . 12.66 111.042 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 77' ' ' GLY . 1.4 mt -107.6 -69.68 0.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.578 0.81 . . . . 13.74 109.288 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -84.76 -40.03 17.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 16.43 109.33 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 18.35 111.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 1.079 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.024 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.996 -0.372 . . . . 6.27 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' SER . 78.1 m80 -129.19 -175.5 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 6.29 109.618 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p -38.16 147.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 2.71 109.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 56' ' ' ALA . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 2.78 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 5.72 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.67 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 2.78 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.41 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.08 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.83 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.3 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.14 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.33 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.83 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.15 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.89 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 1.09 109.357 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 3.65 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.76 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.45 108.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.02 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 1.67 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.57 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 2.09 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 53' ' ' CYS . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.1 109.329 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.56 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.48 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.55 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.33 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.85 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 3.7 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.88 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.78 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.7 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.641 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.49 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.54 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.803 ' HB2' HG11 ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.19 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.2 110.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 1.76 111.049 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.32 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HG13 ' A' ' 24' ' ' VAL . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.36 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.44 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.17 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.59 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.1 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.47 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.703 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.05 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 6.75 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.58 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 55' ' ' THR . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.37 110.389 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.35 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.31 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.05 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 3.3 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.18 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 2.44 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 9' ' ' THR . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 3.14 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.09 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 5.99 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 3.97 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 4.67 109.369 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.756 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.01 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -36.68 103.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 3.73 109.245 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.89 58.71 8.96 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 5.17 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.03 -63.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 5.89 109.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -173.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 10.12 110.264 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 76' ' ' MET . 42.3 p -138.2 52.23 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 7.87 110.395 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 t -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 7.16 110.378 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -19.95 24.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 12.99 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -109.72 2.23 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 10.68 110.001 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -36.93 -43.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 11.87 111.006 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.93 29.73 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 11.55 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.908 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.29 -33.57 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 12.65 109.248 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.773 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -136.02 -46.28 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 15.66 109.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 16.71 111.017 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.83 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.839 ' S2 ' HG11 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.458 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.033 -0.358 . . . . 6.29 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.582 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -161.53 117.15 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 6.83 109.605 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 59.8 155.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 2.62 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 2.36 109.291 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.39 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.92 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 2.72 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.05 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.822 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.89 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.953 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.92 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.58 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.02 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.881 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.41 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.02 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 1.12 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 3.75 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB1' ' HG2' ' A' ' 52' ' ' ARG . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.87 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.2 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.983 HD23 ' S3 ' ' A' ' 82' ' ' SF4 . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 2.64 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.775 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.34 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.35 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 6.3 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.62 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.8 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.82 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 1.32 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 5.9 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.78 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.64 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.62 110.308 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.62 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.51 109.31 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG11 ' A' ' 28' ' ' VAL . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.3 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 1.79 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 1.63 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.2 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.765 HG23 HG21 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.22 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.47 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.84 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.36 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 48' ' ' VAL . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.14 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.33 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.641 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.88 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 7.81 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.868 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 6.04 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.09 108.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.23 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' THR . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.25 110.391 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.28 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.0 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.45 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 2.72 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.92 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 4.75 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 6.27 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 4.47 110.291 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 3.66 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 3.61 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.3 -57.04 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 3.53 109.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.46 69.71 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 4.11 111.045 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.15 -60.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 3.27 109.235 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 1.3 mt-10 -72.19 -56.69 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 6.53 110.32 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 71' ' ' GLU . 11.2 t 41.76 37.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.115 . . . . 7.11 110.485 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 t -96.71 -35.78 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 8.99 110.401 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -76.66 -11.23 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 12.78 110.283 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -134.83 26.08 3.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 14.12 109.991 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.4 mtm -34.51 -38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 12.49 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.03 35.0 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 17.31 111.005 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -139.49 -49.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 0.807 . . . . 18.46 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.907 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -44.68 -32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 19.43 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 1.1 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 22.27 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.953 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.983 ' S3 ' HD23 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.027 -0.36 . . . . 6.48 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 178.2 177.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 5.56 109.545 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 14.9 p 60.26 153.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 2.1 110.013 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.795 HG21 HD21 ' A' ' 25' ' ' LEU . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.53 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 2.89 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 2.05 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 2.24 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.889 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.83 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.546 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.76 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.81 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.805 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.36 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 3.08 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.759 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.85 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' HD13 ' A' ' 25' ' ' LEU . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.86 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 1.18 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 2.63 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.605 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.35 108.364 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.63 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.06 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.16 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.75 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.795 HD21 HG21 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.1 109.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.99 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 2.65 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG22 HG22 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.64 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.76 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 0.82 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.77 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.12 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.78 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.8 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.61 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.69 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.64 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.29 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.97 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 2.19 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.19 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 44' ' ' THR . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.02 110.422 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.14 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.009 ' HB2' HG21 ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 1.77 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.12 109.268 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.54 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.898 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.3 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 6.42 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.09 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.16 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 2.74 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.765 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.12 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.42 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.38 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 3.72 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.14 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.95 109.247 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 3.63 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 6.99 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 4.44 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.13 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 3.7 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 3' ' ' SER . 47.3 mt -50.56 113.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 3.47 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.08 57.49 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 4.16 111.0 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.53 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 3.14 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER -122.21 -78.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 8.23 110.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p 39.79 43.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 7.61 110.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.41 HG22 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -122.38 -37.96 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 9.1 110.395 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -26.25 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 12.14 110.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.57 13.82 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 12.95 110.053 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -36.68 -57.5 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 1.075 . . . . 12.85 111.037 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.617 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 122.59 29.66 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 15.68 110.935 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 ' C ' ' A' ' 77' ' ' GLY . 8.2 mt -113.92 -64.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 15.84 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.55 -33.78 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 16.21 109.318 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 19.31 111.04 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.889 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.898 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.997 -0.372 . . . . 6.76 109.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -148.51 168.68 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 5.92 109.575 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.682 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.8 t 56.8 163.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 2.63 110.033 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 2.85 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 3.55 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 2.39 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.734 ' HA ' HG21 ' A' ' 38' ' ' ILE . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.49 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.894 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.31 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 2.19 109.344 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.56 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.665 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 1.42 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 2.52 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.751 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.31 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.76 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 39' ' ' ALA . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.07 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.75 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.91 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 25' ' ' LEU . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.21 108.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.837 ' CD1' ' S3 ' ' A' ' 82' ' ' SF4 . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.66 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.37 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 47' ' ' CYS . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 1.79 109.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.86 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.62 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.89 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.59 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.81 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.9 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 0.72 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.2 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.15 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.67 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.59 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.57 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.8 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.47 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.459 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.73 110.031 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.02 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 1.53 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 6.54 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 1.28 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.53 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.32 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.06 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 1.93 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.767 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.08 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 6.78 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.16 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.984 ' O ' HG23 ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.38 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 2.92 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.813 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.33 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.3 108.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' C ' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 2.88 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 4.11 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 2.89 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 2.52 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.42 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.19 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.19 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 3.4 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 4.26 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 ' H ' ' A' ' 3' ' ' SER . 1.4 mm? -39.91 -55.81 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.1 109.242 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 69.39 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 4.11 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 73' ' ' THR . . . -131.58 -81.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 4.17 109.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' THR . 3.0 tp10 51.55 -101.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 11.22 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 t -70.15 -4.99 24.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 8.32 110.385 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -60.37 -54.06 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 7.24 110.362 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.54 -21.59 52.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 13.41 110.252 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.6 OUTLIER -111.15 14.72 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 9.44 110.008 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER 65.67 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 13.12 111.001 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' SER . . . -155.1 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 13.49 110.978 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -116.45 -39.05 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 13.36 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB3' HD13 ' A' ' 78' ' ' LEU . . . -175.32 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.8 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.451 ' HB2' ' CB ' ' A' ' 76' ' ' MET . 18.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 18.42 110.938 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.984 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.837 ' S3 ' ' CD1' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.1 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 6.55 110.031 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.608 ' CE1' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -178.6 135.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 6.97 109.617 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' TYR . 28.3 t 58.61 164.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 2.3 110.018 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 56' ' ' ALA . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 2.88 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 3.39 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 2.1 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 3.19 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.28 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.89 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.37 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.19 110.997 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.38 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.07 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.625 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.09 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.64 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.94 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG23 ' SG ' ' A' ' 16' ' ' CYS . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.14 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.1 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.925 ' SG ' HG12 ' A' ' 24' ' ' VAL . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.89 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.725 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.4 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.898 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.14 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.62 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.925 HG12 ' SG ' ' A' ' 20' ' ' CYS . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.3 109.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.16 109.314 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.15 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 2.82 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.61 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.02 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.97 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 0.73 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 0.92 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 3.95 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.93 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.77 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.48 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.53 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.92 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.74 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.82 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 4.63 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 1.7 110.42 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.53 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.81 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.15 108.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.91 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.36 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.63 108.347 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 6.36 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.85 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.56 110.369 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.32 108.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.62 110.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 2.88 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 2.83 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 6.34 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.12 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.51 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 2' ' ' HIS . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 4.63 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.46 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 5.84 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 4.84 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 66' ' ' VAL . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 3.7 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.57 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -52.6 121.89 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.16 109.281 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.69 54.19 6.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 3.83 111.052 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.28 -45.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 3.1 109.278 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -41.41 -65.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 5.94 110.354 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -122.14 36.93 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 5.96 110.401 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.583 HG22 ' HG3' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -104.18 -53.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 8.84 110.461 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -114.26 -22.38 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 12.66 110.301 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.2 t -99.69 14.77 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 8.56 110.022 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.02 -47.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 9.33 111.063 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.602 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 176.92 48.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 12.5 110.979 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -121.89 -58.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 15.54 109.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.001 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -84.5 -31.96 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 13.3 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.602 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 15.27 111.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.675 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.581 ' OG ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 6.36 109.97 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -99.94 -173.61 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 6.34 109.614 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 2' ' ' HIS . 2.7 p 84.42 141.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 2.24 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 3.2 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.7 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 2.73 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 2.51 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.32 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.67 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.02 110.406 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.19 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.862 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 1.25 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.57 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 3.67 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.16 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 0.75 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' SG ' ' A' ' 16' ' ' CYS . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.97 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 2.66 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.15 108.314 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.14 109.35 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 47' ' ' CYS . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.76 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 16' ' ' CYS . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.91 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.08 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 2.64 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.64 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.59 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.75 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.09 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.11 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.87 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 1.08 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 3.54 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.74 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.61 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.64 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.51 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.53 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB2' HG11 ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.91 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.18 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 1.77 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 4.28 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 HG11 ' A' ' 24' ' ' VAL . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 1.34 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.16 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.07 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.72 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 48' ' ' VAL . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.42 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 1.83 110.949 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.657 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.99 108.32 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 5.93 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.769 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 5.41 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.09 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 2.86 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.612 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.44 108.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 2.78 110.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.0 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.619 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.39 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD13 ' OG ' ' A' ' 1' ' ' SER . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 3.4 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 64' ' ' ILE . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.67 109.994 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.733 HD12 ' HB3' ' A' ' 63' ' ' SER . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 6.16 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HG2' HG22 ' A' ' 64' ' ' ILE . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.1 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 3.53 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 4.77 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -27.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.14 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 67' ' ' TYR . . . 148.76 -18.08 1.25 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 10.75 111.068 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -168.78 -66.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 0.807 . . . . 9.81 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 55.67 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 6.05 110.275 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.3 p -138.24 44.67 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 7.88 110.448 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -116.5 -49.97 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 7.29 110.38 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -112.14 -21.42 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.41 110.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 20.11 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 8.47 110.014 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -49.45 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 9.07 110.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.675 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 111.83 30.89 2.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 11.51 111.041 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 78' ' ' LEU . 1.2 mt -98.33 -51.82 3.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 0.808 . . . . 12.02 109.348 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.72 -55.29 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 12.84 109.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 58.2 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 14.43 110.998 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.862 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.769 ' S1 ' ' HB2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 6.18 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.655 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.1 p-80 -129.29 -172.38 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 5.44 109.66 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 60.78 122.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.68 110.023 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.63 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.03 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.21 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 2.09 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.33 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 9' ' ' THR . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.84 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 11' ' ' ILE . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.36 109.339 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.15 108.268 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' THR . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 2.7 110.389 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.15 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.15 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG12 ' HB1' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 2.5 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.28 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.93 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.07 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.65 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.864 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.69 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.53 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 47' ' ' CYS . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.68 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD21 HG11 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.92 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' VAL . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.66 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.2 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.8 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.05 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.61 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.67 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.02 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 1.24 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 5.95 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.73 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.65 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.74 110.371 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.021 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.68 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.52 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.35 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.76 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.13 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 4.65 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 44' ' ' THR . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.36 110.466 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.85 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.727 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.67 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.914 ' HB2' HG21 ' A' ' 24' ' ' VAL . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.32 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 2.97 109.226 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.59 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.885 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.44 108.296 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.12 110.334 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.03 108.268 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.44 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 2.26 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.6 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.29 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 3.58 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.87 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 3.65 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.27 109.278 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.9 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.655 HD11 ' CE1' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 8.34 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 3.78 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 5.67 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 4.31 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' GLY . 2.0 mm? -39.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.29 109.349 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . 33.35 74.36 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.54 1.15 . . . . 5.37 110.971 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.81 -61.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 4.02 109.256 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.1 mt-10 -43.02 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 7.53 110.238 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLU . 64.9 p 37.09 61.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 6.94 110.457 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -154.64 -44.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.22 110.383 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -95.04 -24.46 16.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.107 . . . . 13.63 110.341 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -113.44 -6.69 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 11.87 109.958 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER 35.47 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 11.19 111.011 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -139.42 -41.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 13.59 111.042 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.15 -41.31 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 17.16 109.332 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.61 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -35.82 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 15.74 109.314 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.506 ' CB ' ' OG ' ' A' ' 75' ' ' SER . 2.8 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 18.71 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.777 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.885 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 59' ' ' THR . 37.4 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.066 -0.346 . . . . 7.1 110.066 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.579 ' O ' HD22 ' A' ' 62' ' ' LEU . 18.7 m170 50.28 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 6.02 109.554 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t 64.32 166.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.46 110.011 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 2.59 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.01 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.14 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 2.63 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.845 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.11 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.868 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 1.49 109.339 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.34 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 3.14 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.934 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.803 ' O ' HD13 ' A' ' 25' ' ' LEU . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 1.06 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 17' ' ' VAL . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.33 109.336 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 3.61 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.84 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.555 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.13 108.309 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.67 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.97 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.71 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.67 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 1.64 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.26 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.95 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.44 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.6 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 38' ' ' ILE . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.08 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.84 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.64 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 0.89 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 3.78 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.72 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.56 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.7 110.287 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.74 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.55 109.366 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.94 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 2.18 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 1.66 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 3.31 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 44' ' ' THR . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.15 110.381 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.64 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.32 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 48' ' ' VAL . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.22 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.58 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.18 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 7.88 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 5.95 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.24 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.38 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.2 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.942 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.41 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.44 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.46 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 63' ' ' SER . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 2.81 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.31 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 2.76 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 2' ' ' HIS . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.92 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.633 ' HB3' HG23 ' A' ' 59' ' ' THR . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 4.14 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 6.53 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 4.95 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.17 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.55 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -39.63 149.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.69 109.255 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.94 53.42 40.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 4.48 111.033 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.85 -50.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 3.85 109.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' THR . 4.9 tt0 -175.89 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 9.19 110.247 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' GLU . 1.9 p 35.64 39.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 7.3 110.426 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 m -117.11 -49.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 9.19 110.409 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -127.39 -37.1 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 13.71 110.28 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -95.3 27.46 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 7.82 109.999 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.0 mtp -36.39 -41.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 12.66 110.971 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.621 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 112.81 30.94 2.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 13.29 111.029 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD23 ' N ' ' A' ' 78' ' ' LEU . 2.0 mt -98.4 -50.84 4.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 13.97 109.343 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.28 -49.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 11.79 109.318 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 14.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.942 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.97 ' S3 ' HD11 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 6.21 110.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -98.69 -173.67 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 6.26 109.588 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p 60.55 163.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 2.56 109.995 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 3.25 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.82 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 2.66 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 2.57 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.855 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.98 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HA ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.863 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.26 109.324 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.43 110.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 14' ' ' THR . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.09 110.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.17 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.85 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG23 ' SG ' ' A' ' 16' ' ' CYS . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 1.14 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 3.42 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.02 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 24' ' ' VAL . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.01 108.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.38 110.951 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 1.58 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.75 HG21 ' S2 ' ' A' ' 82' ' ' SF4 . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 2.8 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.9 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.55 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 2.71 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.63 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.76 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.16 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.13 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.69 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 1.02 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 3.44 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.76 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.68 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.61 110.384 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.58 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.52 109.363 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.09 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.12 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 1.95 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.37 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.29 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.63 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.22 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.51 108.333 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' O ' HG12 ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 3.3 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.701 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.42 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 5.72 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.829 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 5.3 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.38 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.18 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 53' ' ' CYS . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 3.16 110.336 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.24 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.709 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.34 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.48 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 4.29 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 2.7 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.17 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 4.75 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 62' ' ' LEU . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 6.46 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 3.66 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.31 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.48 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.5 mm? -40.36 145.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 3.24 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 50.57 7.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.381 1.051 . . . . 4.23 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 72' ' ' THR . . . -149.64 -57.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 4.53 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 72' ' ' THR . 10.2 pt-20 -63.99 121.32 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 7.49 110.266 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 73' ' ' THR . 3.9 t -176.8 60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 6.75 110.427 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER 84.53 -44.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.97 110.408 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HD3' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -83.89 -31.07 25.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 9.59 110.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.423 ' CB ' ' HD3' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -132.8 22.74 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 7.97 109.994 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.435 ' SD ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.1 -61.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 12.24 110.946 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -174.51 -39.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 13.42 111.049 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -105.06 -47.62 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 14.36 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.34 -31.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.92 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 17.26 110.938 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.863 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.832 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 2.7 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.038 -0.356 . . . . 8.97 110.038 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 70.44 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 6.71 109.595 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t 54.0 -175.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 3.67 110.012 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.811 HG21 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 3.93 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 4.77 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.774 HG23 ' S2 ' ' A' ' 81' ' ' SF4 . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 7.62 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 3.91 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.63 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 9' ' ' THR . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.68 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.857 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.35 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.65 109.338 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.83 108.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 2.94 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.875 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.863 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.05 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 ' SG ' ' A' ' 16' ' ' CYS . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.37 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 2.28 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.4 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.69 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.4 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2 111.025 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.922 HD21 ' S3 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 2.8 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.06 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HD12 ' A' ' 22' ' ' LEU . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.38 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 1.24 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.83 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 38' ' ' ILE . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.56 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.74 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.74 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.19 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 1.7 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.57 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.66 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.09 110.339 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.16 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.22 109.259 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.29 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.24 109.989 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 3.38 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 3.43 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' CYS . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 1.43 110.427 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.8 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.62 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.34 108.355 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 2.98 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.707 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.48 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.711 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.55 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.77 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.838 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.23 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.85 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.93 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.05 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.49 108.222 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 4.41 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 5.52 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 4.22 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 58' ' ' PRO . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 3.45 109.252 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 5.47 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 6.91 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 5.95 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 5.99 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HG12 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 5.3 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.811 HD23 HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -30.65 125.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 4.18 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.98 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 4.48 110.967 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.17 -53.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 0.767 . . . . 3.77 109.235 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' THR . 8.3 pt-20 -65.88 -170.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 5.84 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 72' ' ' THR . 6.7 t 35.78 43.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 5.43 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -110.06 -46.68 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.383 1.052 . . . . 7.58 110.414 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -112.5 -23.23 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.85 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.3 t -113.7 18.94 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 8.94 109.981 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 ptm -35.57 -50.78 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 9.14 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.03 -36.48 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 10.47 110.974 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -108.23 -58.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 11.96 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.947 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.84 -32.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 12.57 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . 1.1 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 16.25 111.026 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.875 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.922 ' S3 ' HD21 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 16.49 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -40.48 134.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 14.36 109.614 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p 44.21 -154.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 6.38 110.056 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 4' ' ' VAL . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.09 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 8.03 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 2.22 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.94 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 0.99 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.9 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.43 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.56 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.826 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.67 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 3.98 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.957 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.87 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 1.11 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 39' ' ' ALA . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 1.04 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 2.51 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.76 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.544 ' SG ' HG12 ' A' ' 24' ' ' VAL . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.14 108.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.05 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.06 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.867 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 2.06 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.6 109.248 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 2.73 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.84 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.87 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.42 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.89 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 1.24 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 3.71 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.11 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.01 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.14 110.295 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.81 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.7 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.03 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.88 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.561 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 1.59 111.032 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.07 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.731 HG23 HG21 ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.97 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.01 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.17 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.66 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.11 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.593 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.41 111.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.9 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HG3' HD11 ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 5.59 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 5.9 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.01 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.51 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.897 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' O ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.53 108.279 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.1 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.486 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 2.95 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 3.16 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.52 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 6.66 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 6.07 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 6.6 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.605 ' CE1' HD13 ' A' ' 62' ' ' LEU . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 10.04 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? -39.03 -38.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 3.89 109.323 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.51 57.9 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 5.87 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.12 -46.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 5.23 109.328 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.4 -54.36 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 7.38 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 t -77.44 -0.04 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 11.51 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 m -60.38 -58.02 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 14.65 110.37 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -114.21 -25.94 8.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 14.32 110.312 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 12.59 109.999 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.68 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 17.3 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -170.7 -36.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 14.23 111.049 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -101.39 -45.34 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 16.64 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -42.97 -29.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 15.96 109.29 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 14.96 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.957 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.867 ' S2 ' HG11 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.505 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 9.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.025 -0.361 . . . . 5.86 110.025 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.2 OUTLIER 170.2 -172.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 5.96 109.586 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t 59.09 159.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.38 110.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 2.55 109.302 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.02 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 4.49 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 2.19 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.06 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.79 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.84 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.709 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 1.67 109.251 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 3.21 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.898 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.16 110.347 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.95 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.19 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.08 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 1.72 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.703 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.18 108.244 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 2.4 109.363 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 47' ' ' CYS . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 2.75 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.758 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.16 109.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.68 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 2.83 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.53 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.68 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.09 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.67 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 0.91 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 6.11 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.66 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.55 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.78 110.318 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.69 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.53 109.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.92 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.662 ' O ' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.47 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 1.87 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 3.24 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.11 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.09 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.687 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 2.82 108.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 48' ' ' VAL . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 6.37 109.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.996 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 2.81 111.024 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.941 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.57 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 10.88 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.08 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.15 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 2.24 110.419 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.911 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.32 109.301 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.39 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.28 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 3.18 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.92 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 2.46 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 2.79 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.04 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 59' ' ' THR . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 7.3 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 5.13 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CA ' ' HB2' ' A' ' 3' ' ' SER . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.32 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 3.54 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -43.47 125.53 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 4.14 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.23 73.97 0.13 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 3.88 111.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.1 -50.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 3.82 109.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -59.24 -70.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 7.49 110.346 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p 39.92 72.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 6.46 110.415 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 t -164.89 -47.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 8.77 110.406 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.4 -27.58 8.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 12.41 110.269 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 44.6 p -119.55 8.17 11.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 7.73 110.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 8.5 ttt -36.69 -63.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 8.85 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.598 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 148.43 42.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.584 1.178 . . . . 10.2 111.02 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -120.62 -60.05 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 0.734 . . . . 10.78 109.263 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.95 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -82.3 -31.34 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 11.96 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 14.65 111.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.911 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.996 ' S4 ' ' CA ' ' A' ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.043 -0.354 . . . . 6.48 110.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.626 ' O ' HD22 ' A' ' 62' ' ' LEU . 26.5 m80 -130.96 147.35 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 5.73 109.666 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 p 58.48 157.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.476 1.11 . . . . 2.32 110.01 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 2.19 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 40' ' ' SER . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 2.11 109.341 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 2.77 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.585 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.95 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.8 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.92 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 2.13 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.31 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.877 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 2.81 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.778 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.24 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.81 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.9 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 2.86 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.6 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.697 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 1.2 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.84 109.349 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.44 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.754 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.27 109.263 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' CYS . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.14 109.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.17 110.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.78 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.56 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.8 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.05 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.83 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.16 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 3.67 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.78 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.76 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.61 110.308 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.682 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.6 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.51 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.06 110.031 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.78 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 1.53 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 3.85 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.11 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.15 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.13 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.29 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.1 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.636 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.09 111.013 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.94 108.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.15 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 5.21 110.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.53 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 56' ' ' ALA . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.62 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.778 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.22 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.33 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 4.76 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.66 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 2.48 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 2' ' ' HIS . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.24 109.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.38 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 6.6 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 5.86 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 3.55 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 3.5 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' SER . 41.1 mt -41.62 107.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 3.36 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.87 76.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 3.8 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.45 -57.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 3.14 109.253 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.97 119.29 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 5.97 110.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -162.66 28.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 6.48 110.381 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -96.04 -27.81 14.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 9.15 110.394 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -18.41 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 11.45 110.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -2.13 25.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.107 . . . . 8.45 109.944 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.46 -40.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 11.08 111.045 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.642 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 122.98 37.89 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.569 1.168 . . . . 12.49 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.642 HD23 ' C ' ' A' ' 77' ' ' GLY . 3.5 mt -110.38 -65.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 12.58 109.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -91.23 -36.8 13.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 12.28 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.572 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 15.2 110.971 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.92 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.875 ' S3 ' ' HB2' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.954 -0.387 . . . . 17.79 109.954 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.592 ' HB3' HD23 ' A' ' 68' ' ' LEU . 44.9 m170 52.92 174.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 14.61 109.581 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -59.94 -151.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 4.82 109.943 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.48 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.88 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 2.54 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.41 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.9 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.648 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.85 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.844 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 1.45 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.719 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 2.81 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.833 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.82 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.719 ' O ' HD22 ' A' ' 25' ' ' LEU . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.11 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.98 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 3.39 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.08 109.27 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB2' HD12 ' A' ' 25' ' ' LEU . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.29 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.83 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.869 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 1.79 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.53 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.86 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.12 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.11 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.05 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 2.54 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.43 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.7 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.14 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.7 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.2 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.73 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.66 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.7 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.8 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.46 109.274 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.97 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.13 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 1.9 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 4.39 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.2 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.59 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.15 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.838 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.08 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.818 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.63 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.606 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.26 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 9.95 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 10.91 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.24 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 1.97 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.804 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.19 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.62 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 3.74 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.44 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 3.05 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 3.21 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.662 ' C ' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.46 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' C ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 8.11 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.01 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 3.7 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 4.69 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 2' ' ' HIS . 60.0 mt -43.41 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 2.89 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.76 65.02 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 4.37 111.048 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.16 -57.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 3.66 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 8.7 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.1 p 38.83 64.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 6.36 110.348 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.9 t -155.62 -44.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 9.24 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -93.95 -24.36 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 11.87 110.266 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -134.19 14.48 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 9.52 110.052 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.1 ttt -36.41 -55.19 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 9.07 111.051 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 178.05 -41.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 10.71 111.051 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.08 -47.31 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 11.88 109.344 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.779 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.66 -32.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 11.87 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 3.8 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 15.83 111.063 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.844 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.869 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 6.16 110.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.71 177.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 6.19 109.542 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p 59.57 153.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 2.83 109.973 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 56' ' ' ALA . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.83 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 4.34 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 40' ' ' SER . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 2.06 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.89 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.71 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.646 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.65 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.41 110.959 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 3.2 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.88 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.53 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.02 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.14 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 2.49 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.64 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.17 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.051 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.43 109.218 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.85 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HB2' ' A' ' 47' ' ' CYS . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.19 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.11 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 4.94 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.54 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.64 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.82 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.49 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.83 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 1.38 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 3.37 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.98 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.985 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.52 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.69 109.314 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.723 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.06 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.64 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 2.38 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 3.67 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.93 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.62 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.97 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.891 ' HB2' HG21 ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.42 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 49' ' ' GLY . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.14 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.848 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.36 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.585 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 6.16 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 6.23 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.01 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.52 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.663 HG23 ' HG3' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.32 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.38 109.231 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.76 ' C ' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.2 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.26 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 2.3 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 ' C ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 2.77 109.313 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.1 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 65' ' ' ARG . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 6.28 109.202 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 3.82 110.29 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.32 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.73 111.034 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.94 122.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 3.56 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.65 58.18 10.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 4.22 110.999 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 72' ' ' THR . . . -152.13 -59.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 3.2 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.58 -34.39 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 5.96 110.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 70' ' ' ALA . 42.3 p 40.49 41.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 6.69 110.401 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -64.61 -10.41 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 8.27 110.39 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.89 ' O ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -101.9 -15.61 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 13.89 110.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -118.9 1.91 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 12.09 109.963 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -142.04 -41.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 10.07 110.976 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.758 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -81.77 45.33 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.095 . . . . 9.6 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.89 HD11 ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -109.69 -54.89 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 11.29 109.276 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.32 -43.89 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 11.55 109.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 16.59 111.022 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.88 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.051 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' A' ' 64' ' ' ILE . 60.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.028 -0.36 . . . . 6.09 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' SER . 2.3 m-70 -163.27 -170.85 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 8.23 109.615 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' HIS . 51.6 p 60.38 144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 2.45 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 56' ' ' ALA . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 2.62 109.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 3.78 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 2.05 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 3.11 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.684 HG21 HD22 ' A' ' 62' ' ' LEU . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.44 110.442 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 1.42 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.14 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.36 108.303 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 3.3 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.916 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.17 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.08 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.958 HG21 ' HB1' ' A' ' 39' ' ' ALA . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 1.77 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.25 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.57 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.37 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.85 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.159 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.61 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.28 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.86 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG22 ' A' ' 17' ' ' VAL . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.03 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.94 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 2.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.46 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.64 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.65 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.9 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.78 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 1.42 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 6.12 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.97 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.84 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.89 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.66 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.958 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.52 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.04 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 3.19 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 2.35 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 4.3 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.18 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.03 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.775 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.56 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.754 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.72 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 3.58 109.28 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.13 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.84 108.374 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.11 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.673 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 5.37 110.216 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.812 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.47 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 2.14 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.13 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 4.98 110.971 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.49 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 2.7 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.35 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 4.87 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' ' OG ' ' A' ' 1' ' ' SER . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.09 109.338 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 5.23 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 3.48 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 3.92 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.28 -52.26 64.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.27 54.36 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 4.02 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.52 -56.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 4.13 109.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' C ' HG22 ' A' ' 72' ' ' THR . 11.2 pt-20 -58.55 -157.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 6.94 110.294 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' C ' ' A' ' 71' ' ' GLU . 3.1 t 42.71 56.37 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 6.54 110.37 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.4 t -174.37 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 6.92 110.383 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -43.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 9.8 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -94.84 -13.45 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 10.17 110.029 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' SER . 31.2 mtt 35.05 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 10.12 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -147.92 -40.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 14.32 110.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -96.14 -46.29 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 16.13 109.258 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -43.93 -28.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 13.7 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 19.04 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.159 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.997 -0.372 . . . . 6.24 109.997 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.489 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.1 m80 -105.62 -147.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 5.4 109.634 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 2' ' ' HIS . 26.1 t -32.34 148.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 5.47 109.992 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.745 HG12 ' HB2' ' A' ' 56' ' ' ALA . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 2.82 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 2.97 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 2.12 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 2.26 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.633 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.78 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.73 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 1.5 109.344 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.886 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.67 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.768 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 3.91 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.867 ' CG ' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.627 ' O ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.16 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 2.49 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 1.65 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.24 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.49 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.58 109.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.3 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB2' ' A' ' 47' ' ' CYS . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 3.06 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.752 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.13 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.12 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 2.79 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.54 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.58 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.11 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.07 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 0.7 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 0.98 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.19 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.76 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.64 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78 110.349 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 0.64 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.52 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.87 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 2.31 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 1.57 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 2.93 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 1.03 110.409 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.01 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.67 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.722 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.42 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 3.87 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 2.72 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.834 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.18 108.312 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 5.96 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.896 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.97 110.28 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.66 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.9 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.39 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.895 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.24 109.269 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.84 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.4 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 63' ' ' SER . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 3.71 110.414 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.16 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 2.85 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 3.79 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.57 ' CB ' HG23 ' A' ' 59' ' ' THR . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 3.51 110.028 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' HD3' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 5.86 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 4.39 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.05 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 5.6 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 68' ' ' LEU . 7.7 mt -81.97 61.94 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 4.79 109.286 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.74 59.93 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 7.12 111.024 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.95 -50.64 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 5.26 109.272 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' HG3' HG22 ' A' ' 73' ' ' THR . 1.5 tp10 -101.28 -66.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 8.33 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p 44.93 52.48 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 7.96 110.437 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 71' ' ' GLU . 5.7 t -144.04 -45.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 9.62 110.387 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -103.37 -20.2 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 11.51 110.258 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 p -109.38 -6.14 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 12.49 109.992 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -49.54 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 14.08 110.985 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.711 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 140.47 42.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 17.41 110.956 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 77' ' ' GLY . 1.7 mt -110.18 -68.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 18.04 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -85.62 -38.91 17.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 18.31 109.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 20.61 111.035 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.895 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S1 ' ' O ' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.047 -0.353 . . . . 6.71 110.047 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 76.82 162.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 5.58 109.644 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p 67.08 160.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 2.27 109.99 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 2.6 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 4.22 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.99 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.38 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.07 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.749 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.02 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.051 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 1.75 109.297 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.32 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 2.84 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.06 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.668 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.89 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.22 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 2.81 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.62 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' A' ' 24' ' ' VAL . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 1.43 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 1.87 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.58 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.81 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.679 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.95 109.332 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.63 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.92 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 2.97 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.49 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.62 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.17 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.07 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 0.73 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 1.1 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 3.43 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.67 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.57 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56 110.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.6 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.64 109.283 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.3 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.95 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.34 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.88 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.563 HG23 HG11 ' A' ' 24' ' ' VAL . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.1 110.42 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.19 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.33 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.74 108.31 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 3.86 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.705 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.61 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.25 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 8.82 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 9.77 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.581 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 2.92 108.318 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 4.39 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 2.85 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 2.3 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.73 ' N ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.55 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.43 111.043 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.15 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' H ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.78 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 2.34 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 2.82 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 4.28 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 64' ' ' ILE . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 6.43 109.315 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 4.83 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 3.41 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.15 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt -42.92 -55.95 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' HA2' ' CB ' ' A' ' 73' ' ' THR . . . -88.67 63.06 3.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.561 1.163 . . . . 4.73 111.021 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.7 -52.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 5.38 109.231 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -38.89 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 8.12 110.248 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -144.71 41.21 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 8.38 110.435 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -94.29 -58.53 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 8.5 110.338 -179.931 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -95.56 -25.38 16.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 11.22 110.298 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -90.24 -16.94 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 7.76 109.981 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 50.37 -85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 9.86 110.991 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -153.36 -41.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.421 1.075 . . . . 10.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.008 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -103.09 -41.59 6.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 10.74 109.355 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 75' ' ' SER . . . -38.24 -32.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.75 109.28 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 14.77 110.999 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 1.051 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.705 ' S4 ' ' HA2' ' A' ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 68' ' ' LEU . 5.0 p . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.038 -0.356 . . . . 5.78 110.038 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -33.98 119.19 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 8.01 109.602 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p 41.04 -155.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.77 110.092 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 3.49 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 3.62 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 1.92 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 2.36 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.24 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.583 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.26 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 1.36 109.319 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.35 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 3.52 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.12 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 1.11 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.18 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.3 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.65 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.16 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.66 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' CD1' ' S3 ' ' A' ' 82' ' ' SF4 . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.37 109.329 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.89 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 25' ' ' LEU . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.22 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' H ' HG12 ' A' ' 24' ' ' VAL . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.32 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.75 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.82 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.84 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.14 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.34 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 0.82 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 1.06 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.95 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.87 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.79 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.66 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.019 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.56 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.5 109.285 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.07 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 2.32 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 1.6 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 3.57 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 1.06 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.53 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 24' ' ' VAL . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.38 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 2.97 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.52 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.716 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.32 108.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.01 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.529 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.68 110.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.18 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.42 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.8 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.916 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.93 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.33 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.57 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.27 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 3.01 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 1' ' ' SER . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 2.66 109.29 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 4.55 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.03 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 5.17 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 3.31 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 3.56 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 1' ' ' SER . 93.3 mt -45.08 117.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.83 109.359 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.92 62.95 2.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 3.96 110.976 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' THR . . . -173.8 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 3.05 109.268 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -24.49 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 7.22 110.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 3.5 p -83.81 36.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 5.94 110.413 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -126.34 -41.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 7.14 110.396 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.715 ' O ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.42 -34.56 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 11.17 110.291 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 15.4 t -87.22 2.82 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 8.02 110.021 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -92.28 -16.8 25.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 9.56 111.023 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.743 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -96.81 19.58 54.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 9.91 111.045 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.83 HD23 ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -99.55 -48.49 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 10.79 109.319 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -138.93 -55.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 13.02 109.286 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 76' ' ' MET . 69.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 14.23 110.972 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.716 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.952 -0.388 . . . . 6.46 109.952 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' SER . 14.5 m-70 -47.28 136.4 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 5.92 109.575 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 56.87 161.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 3.13 109.957 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 2.25 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.04 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.01 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 2.98 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.702 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.1 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.86 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.46 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.912 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.83 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.753 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 4.33 110.375 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.886 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 16.5 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.69 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' O ' HD22 ' A' ' 25' ' ' LEU . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.27 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.524 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 1.04 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 2.74 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.82 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.04 108.248 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.892 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 1.59 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.3 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.95 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.12 109.272 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.37 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 2.58 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.778 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.45 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.64 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.33 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.07 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.73 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.05 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 3.68 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.95 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.78 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78 110.285 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.5 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 0.7 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.97 110.048 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.513 ' OG ' HG12 ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 1.89 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 1.61 110.996 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 2.84 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 1.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.41 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.78 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.36 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 3.32 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 1.71 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.935 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.37 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.03 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 5.81 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.31 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.06 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.68 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.24 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 2.99 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 3.52 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.76 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 2.61 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.71 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 5.27 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 65' ' ' ARG . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.27 109.239 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 3.92 110.289 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.23 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 3.91 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.06 -59.49 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 3.41 109.345 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.91 60.19 4.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.094 . . . . 4.3 110.981 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 72' ' ' THR . . . -123.13 -43.62 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 3.88 109.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 4.9 pm0 -63.82 119.97 11.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 8.22 110.319 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.696 ' O ' HG22 ' A' ' 73' ' ' THR . 2.1 t -178.07 56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 9.32 110.436 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER 87.4 -26.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.58 110.42 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 72' ' ' THR . 0.2 OUTLIER -82.09 -39.37 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 12.78 110.287 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -146.01 24.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 7.26 110.043 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -64.97 -40.82 95.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 11.86 110.951 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.99 43.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.54 110.979 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -93.65 -39.84 10.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 11.28 109.285 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -151.75 -51.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 9.86 109.282 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 14.35 110.984 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.912 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.935 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.042 -0.355 . . . . 6.59 110.042 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.7 p-80 176.48 163.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 6.29 109.605 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' HIS . 53.9 p 59.55 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 2.44 109.978 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 2.65 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 2.91 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 2.18 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 2.32 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.06 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.897 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 1.46 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.94 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.684 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.37 109.299 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.4 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.706 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 3.78 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.95 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 25' ' ' LEU . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.03 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 2.4 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.67 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.34 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 1.42 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.92 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.828 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.94 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.42 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.928 HG21 ' HB2' ' A' ' 47' ' ' CYS . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.91 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 16' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.17 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.58 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 5.92 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.6 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.74 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.11 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.01 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.72 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 0.91 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 3.76 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.63 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.54 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.58 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.67 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.63 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.64 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 1.8 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 4.07 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 44' ' ' THR . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 1.49 110.418 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.928 ' HB2' HG21 ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.31 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' VAL . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 3.34 109.232 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 1.89 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.28 108.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 5.96 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.87 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.2 110.32 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.712 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.93 108.322 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.14 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 2.65 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.69 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.43 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 62' ' ' LEU . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.92 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.19 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 3.03 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 62' ' ' LEU . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.18 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 3.66 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 6.5 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 5.58 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 3.48 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 2' ' ' HIS . 31.8 mt -41.23 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.04 109.291 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.33 54.49 23.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.557 1.16 . . . . 3.65 111.015 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 67' ' ' TYR . . . -174.66 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 3.91 109.296 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -46.53 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.47 110.288 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -103.22 28.69 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 7.65 110.415 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 70' ' ' ALA . 90.4 m -78.09 -60.77 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 9.25 110.389 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 80' ' ' TYR . 2.4 ptt-85 -77.58 -16.91 58.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 9.36 110.292 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.97 22.32 15.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 9.36 109.995 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -52.68 38.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 13.86 110.987 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.45 31.39 1.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 14.92 111.022 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 78' ' ' LEU . 5.9 mt -96.2 -48.33 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 17.21 109.246 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.61 -49.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 15.97 109.296 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' ARG . 57.9 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 17.29 111.055 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.897 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.902 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.046 -0.353 . . . . 6.18 110.046 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -121.98 163.19 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 7.1 109.582 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p 55.52 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 2.23 109.964 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 68' ' ' LEU . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 2.2 109.34 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.01 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 2.11 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.8 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.89 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.812 HG21 HD23 ' A' ' 62' ' ' LEU . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 1.54 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.98 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 1.91 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.44 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.751 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.45 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.776 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.17 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' LEU . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.91 109.29 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 4.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.47 108.22 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.64 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 1.73 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.31 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.04 109.283 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.56 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 3.46 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.46 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.61 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.86 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.1 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 3.55 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.78 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.67 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.54 110.242 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.49 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 0.5 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.01 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 3.32 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.23 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 3.76 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 1.68 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.69 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.817 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.77 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 3.97 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.33 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.89 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 7.77 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 4.63 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.81 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.39 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 1.95 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.95 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.558 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.7 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.44 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 4.27 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.23 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 3.7 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 2.66 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.63 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 8.04 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.25 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 5.04 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 4.39 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 HG12 ' A' ' 4' ' ' VAL . 1.4 mm? -40.62 104.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 3.4 109.281 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.77 76.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 5.4 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.82 -44.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 4.49 109.265 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.18 -50.96 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 7.34 110.234 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 p -84.16 11.89 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.58 110.382 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.471 HG23 ' HD2' ' A' ' 74' ' ' ARG . 6.6 t -98.68 -28.98 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 7.58 110.371 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD2' HG23 ' A' ' 73' ' ' THR . 0.2 OUTLIER -114.59 -31.03 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 11.85 110.354 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -103.74 -6.25 21.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.36 110.027 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' A' ' 75' ' ' SER . 1.5 ttt 63.18 -65.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 14.42 111.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 169.63 -30.44 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 15.63 110.957 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.961 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -100.62 -44.7 5.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 17.02 109.366 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 75' ' ' SER . . . -40.53 -30.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 13.37 109.326 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 19.92 110.971 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.751 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.768 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.839 ' H3 ' HD11 ' A' ' 62' ' ' LEU . 16.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.03 -0.359 . . . . 6.79 110.03 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -163.01 174.01 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 6.27 109.563 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p 60.51 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 2.08 109.99 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 56' ' ' ALA . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.82 109.283 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 3.46 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 2.16 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 2.4 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.36 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.895 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.85 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.72 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.663 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.38 109.3 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.07 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.56 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.32 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 14' ' ' THR . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.23 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.945 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.92 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.13 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 17' ' ' VAL . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.96 109.31 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 2.91 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.75 109.281 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.652 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.12 108.304 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.201 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 1.83 109.367 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.83 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.88 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.99 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.41 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 3.18 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.51 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.61 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.07 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.69 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.01 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.92 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.63 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.55 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.55 110.258 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.683 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.5 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.49 109.324 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.36 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.09 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.03 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 1.6 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.18 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.41 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.37 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 3.72 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.96 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.84 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.61 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.06 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 9.15 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.56 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.59 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.3 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.29 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.855 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.62 110.997 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 3.34 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.01 109.308 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 2.22 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 58' ' ' PRO . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 3.4 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.51 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 6.59 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.55 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 4.12 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 3.56 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 2' ' ' HIS . 67.2 mt -41.56 109.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 2.9 109.317 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.84 75.46 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.582 1.176 . . . . 3.87 111.057 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.25 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 4.07 109.265 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.5 mp0 -60.08 -148.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 6.32 110.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.5 p 38.11 32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 7.75 110.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' GLU . 16.8 m -102.48 -52.28 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 7.4 110.391 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.78 -33.06 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.87 110.3 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -93.53 21.62 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 10.87 110.052 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtt -39.23 -47.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 10.37 110.996 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 148.54 42.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 12.94 110.93 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 77' ' ' GLY . 7.8 mt -110.56 -65.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 13.88 109.239 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -87.14 -38.35 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 15.04 109.285 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 16.61 110.955 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.945 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.201 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 54' ' ' GLU . 6.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.031 -0.359 . . . . 7.59 110.031 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m170 69.36 137.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 7.73 109.537 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p -36.0 152.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 2.85 110.026 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 4' ' ' VAL . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 2.59 109.277 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 4.98 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 3.86 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 2.75 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.99 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.13 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.643 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.4 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.08 111.025 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.39 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.01 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.873 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.95 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.863 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.23 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.863 HG23 ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.28 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 3.13 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 1.06 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.59 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.66 109.28 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.11 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 ' HB2' ' A' ' 47' ' ' CYS . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.93 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' SG ' ' A' ' 16' ' ' CYS . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.87 109.364 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 2.91 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.61 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.62 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.51 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 1.25 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 1.7 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.21 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.97 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.76 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.73 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.74 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.83 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.92 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 1.98 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.16 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.14 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 44' ' ' THR . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 1.35 110.376 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.89 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.53 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.966 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.95 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 3.86 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 1.8 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.16 108.303 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 6.73 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 4.98 110.281 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.804 ' N ' ' S1 ' ' A' ' 82' ' ' SF4 . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.95 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' HA ' ' CB ' ' A' ' 1' ' ' SER . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.16 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.03 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.91 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.3 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.5 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.33 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 3.57 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 3.15 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' OG ' ' A' ' 3' ' ' SER . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 2.94 109.249 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.33 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 7.51 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 4.75 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 6.78 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 7.58 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.82 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.08 109.331 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -46.41 -23.13 1.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 7.9 110.959 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 72' ' ' THR . . . 67.29 -69.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 4.46 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.879 ' HG2' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER 63.49 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 6.9 110.312 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 70' ' ' ALA . 20.4 p 38.37 30.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 7.43 110.417 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.879 HG22 ' HG2' ' A' ' 71' ' ' GLU . 4.1 t -117.5 -33.64 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 10.28 110.438 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -88.74 -25.0 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 15.4 110.274 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -122.38 1.26 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 9.11 110.002 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 72' ' ' THR . 0.0 OUTLIER 68.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 11.57 111.007 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 163.29 -27.55 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.474 1.109 . . . . 11.84 111.067 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -107.31 -47.48 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 13.11 109.309 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.06 -31.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 12.53 109.324 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 16.41 110.988 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.997 -0.372 . . . . 7.73 109.997 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 54' ' ' GLU . 10.8 m170 61.02 -178.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 6.79 109.609 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.553 ' H ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 81.24 163.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 2.18 110.004 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 2.86 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.38 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 2.5 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 2.36 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.45 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 1.3 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.09 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 1.98 109.299 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.57 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 3.59 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.95 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 39' ' ' ALA . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 1.21 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 3.24 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.19 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.34 108.269 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.62 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.89 HD12 ' H ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 2.62 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.33 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.196 HG21 ' S2 ' ' A' ' 82' ' ' SF4 . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.13 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 1.77 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.14 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.69 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.91 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.63 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.45 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.35 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 1.36 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 4.23 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.32 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.21 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.01 110.309 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.013 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.55 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.5 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.08 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.34 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 1.85 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 4.4 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 1.09 110.391 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.43 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.82 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.89 ' H ' HD12 ' A' ' 22' ' ' LEU . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.88 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 4.25 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 1.7 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.26 108.281 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.37 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 6.33 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.671 ' O ' HG22 ' A' ' 55' ' ' THR . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.64 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 2' ' ' HIS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.73 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.24 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.47 109.347 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.58 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.95 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 3.52 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.87 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 3.88 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 56' ' ' ALA . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.2 109.284 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 3.76 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 5.65 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.27 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 70' ' ' ALA . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 3.3 109.259 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.72 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 3' ' ' SER . 21.8 mt -40.24 -64.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 3.2 109.234 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.34 67.28 3.11 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.414 1.071 . . . . 4.98 110.976 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.671 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -165.43 -54.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 0.811 . . . . 3.8 109.33 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -28.66 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 6.23 110.285 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 p -79.33 48.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 8.41 110.434 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -129.74 -47.39 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.594 1.184 . . . . 9.66 110.467 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.734 ' O ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -115.4 -14.78 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 10.19 110.366 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.17 8.2 29.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 8.21 110.007 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -101.85 -35.63 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 13.2 110.977 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.716 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -88.44 29.1 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 13.46 111.005 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 74' ' ' ARG . 3.5 mt -108.31 -65.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 13.63 109.332 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.2 -57.12 2.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 16.14 109.316 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 76' ' ' MET . 16.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 17.44 111.043 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.609 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.196 ' S2 ' HG21 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.973 -0.38 . . . . 5.96 109.973 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.512 ' CA ' HD12 ' A' ' 68' ' ' LEU . 3.5 m80 -134.28 167.39 20.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 6.03 109.535 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' HIS . 18.1 p -36.0 141.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 2.51 109.99 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 4' ' ' VAL . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.17 109.346 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 2.96 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 3.09 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.07 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.815 HG21 ' HG ' ' A' ' 62' ' ' LEU . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.9 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.84 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.597 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 1.41 109.27 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.18 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.731 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.42 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.33 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.03 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' HD22 ' A' ' 25' ' ' LEU . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.83 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 17' ' ' VAL . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.26 109.359 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.35 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 51' ' ' LYS . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 1.57 109.248 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.788 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.3 108.294 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.676 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.92 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.43 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' SG ' ' A' ' 20' ' ' CYS . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.28 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.025 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.09 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 3.17 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.46 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.61 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.03 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 0.88 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 1.14 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.25 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.02 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.9 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.7 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.77 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.59 109.305 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB2' HG11 ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 0.92 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.11 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 1.75 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.31 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 44' ' ' THR . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.02 110.424 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.51 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.64 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.79 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 48' ' ' VAL . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 4.94 109.315 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.552 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 2.68 110.979 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.85 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.78 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.06 109.317 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 6.96 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.31 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.22 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.818 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.18 109.303 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.708 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.08 108.253 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 5.38 110.925 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 3.8 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.45 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 3.11 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HG ' HG21 ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.9 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.45 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.17 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.45 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.67 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.05 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 2' ' ' HIS . 4.9 mt -38.45 -55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 3.31 109.272 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 77.52 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 4.2 111.061 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . . . -169.58 -52.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 4.09 109.298 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -38.56 -65.71 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 7.11 110.337 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 72' ' ' THR . 9.7 t -170.11 52.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 6.94 110.436 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -80.49 -42.83 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 9.53 110.378 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -17.96 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 10.7 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -89.74 -5.0 57.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 8.75 109.983 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 106.28 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 11.96 111.027 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . 96.29 -1.93 62.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.448 1.093 . . . . 13.34 110.963 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -112.18 -33.84 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.756 . . . . 12.17 109.312 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.892 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -121.11 -32.23 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 12.03 109.295 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 59.0 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 17.2 110.985 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.972 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 1.025 ' S2 ' HD11 ' A' ' 25' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.008 -0.367 . . . . 6.81 110.008 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . 1.1 p-80 -159.88 165.12 32.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 6.3 109.584 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' HIS . 52.9 p 60.3 146.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 3.47 109.954 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 68' ' ' LEU . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 2.28 109.326 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HE3' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.03 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 2.09 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.25 111.024 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.91 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.01 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.72 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.689 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.33 109.319 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.63 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.722 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 2.88 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.4 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.92 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 1.09 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 17' ' ' VAL . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.24 109.279 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 2.51 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.63 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 24' ' ' VAL . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.45 108.256 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.546 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 1.9 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' CB ' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 2.03 109.303 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.41 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG11 ' SG ' ' A' ' 47' ' ' CYS . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 2.58 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.17 109.311 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.22 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.03 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.62 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.67 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.84 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 1.57 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 1.77 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 4.36 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.15 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.94 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.67 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.87 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.66 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.03 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 1.8 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 3.52 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' THR . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.04 110.427 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.57 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.72 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.732 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.44 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 8.5 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 2.24 111.032 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.919 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.89 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 6.75 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 4.77 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.019 ' O ' HG23 ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.36 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.52 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.725 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.19 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.2 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 2.92 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.58 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 2.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.765 HD11 HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 3.21 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.14 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.1 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 3.85 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 3.79 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.06 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mm? -49.25 131.85 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 2.85 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.95 56.74 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 3.78 111.023 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -148.34 -44.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.531 0.783 . . . . 3.83 109.208 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' O ' HG22 ' A' ' 72' ' ' THR . 2.2 mm-40 -56.21 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 6.95 110.304 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 71' ' ' GLU . 15.0 t 50.4 20.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 6.36 110.433 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.5 t -117.61 -31.52 5.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 9.44 110.43 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -68.05 -33.63 74.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 12.85 110.228 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -129.88 9.99 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 11.34 110.067 179.921 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' A' ' 75' ' ' SER . 29.0 ttm 65.6 -59.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 11.28 111.051 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 179.65 42.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 10.63 110.996 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -106.62 -37.32 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 13.7 109.346 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' CB ' HD13 ' A' ' 78' ' ' LEU . . . -155.93 -53.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 12.76 109.313 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 75' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 18.19 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' SF4 . . . . . 0.919 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.2 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.974 -0.38 . . . . 2.54 109.974 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 2.1400000000000001 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.1099999999999999 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 41' ' ' SER . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.21 109.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.8599999999999999 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.9299999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.772 HG21 HD12 ' A' ' 62' ' ' LEU . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1100000000000001 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' ILE . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.82999999999999996 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.3200000000000001 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 111.046 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.9399999999999999 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 2.79 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.638 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.75 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' SG ' ' A' ' 16' ' ' CYS . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.98999999999999999 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.71 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB1' ' HG3' ' A' ' 52' ' ' ARG . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 24' ' ' VAL . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.1299999999999999 108.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.53 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.0600000000000001 109.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 41' ' ' SER . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 1.8 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.1200000000000001 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.3100000000000001 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.64000000000000001 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.81999999999999995 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.0800000000000001 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 0.93000000000000005 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.04 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.67000000000000004 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.55000000000000004 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.69999999999999996 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.65 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.57999999999999996 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.64000000000000001 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.68 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 1.1599999999999999 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.583 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.0600000000000001 111.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.3799999999999999 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 44' ' ' THR . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.1200000000000001 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.7400000000000002 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.7999999999999998 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.5 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.1699999999999999 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.75 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.2400000000000002 108.254 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.2400000000000002 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HG3' ' HB1' ' A' ' 19' ' ' ALA . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 5.4500000000000002 110.267 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.8500000000000001 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 15' ' ' GLN . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.0099999999999998 110.381 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.459 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.0699999999999998 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.5499999999999998 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.4900000000000002 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2000000000000002 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.1600000000000001 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.772 HD12 HG21 ' A' ' 9' ' ' THR . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.02 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.2199999999999998 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.9400000000000004 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 5.25 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.9199999999999999 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 3' ' ' SER . 16.9 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 3.3799999999999999 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.993 -0.373 . . . . 2.6800000000000002 109.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.079 HG11 HD21 ' A' ' 25' ' ' LEU . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.5600000000000001 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.96 109.347 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 2.3199999999999998 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.1600000000000001 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 9' ' ' THR . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.85999999999999999 110.362 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65000000000000002 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 1.4299999999999999 109.344 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.3200000000000001 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.25 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.6 pt20 -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2000000000000002 110.237 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.91000000000000003 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.94999999999999996 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 2.75 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 24' ' ' VAL . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 108.34 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.74 109.237 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 20' ' ' CYS . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 2.1899999999999999 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.079 HD21 HG11 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 1.1200000000000001 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.7400000000000002 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.9100000000000001 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.75 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.21 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.1499999999999999 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.9299999999999999 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.81999999999999995 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 0.92000000000000004 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.4500000000000002 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.84999999999999998 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.70999999999999996 110.277 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.809 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.81000000000000005 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.63 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.49 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.0899999999999999 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.4900000000000002 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 3.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.7 110.429 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.9300000000000002 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.9199999999999999 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 3.3799999999999999 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 1.9299999999999999 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.6699999999999999 108.326 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HG2' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 5.9100000000000001 109.234 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 4.9299999999999997 110.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.3700000000000001 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.0199999999999996 110.263 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.25 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 1.027 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.3300000000000001 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.3 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.1800000000000002 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 5.1900000000000004 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.2699999999999996 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 3.1299999999999999 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.1699999999999999 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.2800000000000002 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 6.2800000000000002 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 5.2800000000000002 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 5.0999999999999996 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.0599999999999996 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.5999999999999996 109.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.0 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.037 -0.357 . . . . 2.1200000000000001 110.037 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 56' ' ' ALA . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.8500000000000001 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.25 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 2.4199999999999999 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.04 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.789 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 1.74 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.1799999999999999 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.789 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.1699999999999999 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' THR . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 2.5899999999999999 110.356 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.3 pt20 -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.3300000000000001 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.75 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.91000000000000003 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.0099999999999998 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2000000000000002 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.417 ' SG ' HG12 ' A' ' 24' ' ' VAL . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 1.3 108.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 1.74 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 22' ' ' LEU . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.5 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.5600000000000001 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 25' ' ' LEU . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 2.3399999999999999 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0700000000000001 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 3.52 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.711 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.42999999999999999 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.55000000000000004 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.0700000000000001 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.8700000000000001 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.65000000000000002 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.03 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.1799999999999997 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.62 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.55000000000000004 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54000000000000004 110.343 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.53000000000000003 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.42999999999999999 109.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 2.1000000000000001 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HG3' HG12 ' A' ' 28' ' ' VAL . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 1.6000000000000001 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 6.9199999999999999 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 1.1100000000000001 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.72 108.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 3.3100000000000001 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 1.8300000000000001 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.9299999999999999 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 6.96 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 5.46 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.715 ' SG ' HG21 ' A' ' 4' ' ' VAL . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.615 ' HG3' HD13 ' A' ' 68' ' ' LEU . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.3300000000000001 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.27 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.783 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.324 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.29 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.46 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.746 HG23 ' OG ' ' A' ' 63' ' ' SER . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 2.54 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 2.5699999999999998 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.746 ' OG ' HG23 ' A' ' 59' ' ' THR . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.0199999999999996 109.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.0300000000000002 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 3.8500000000000001 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.29 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 3.9100000000000001 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HG3' ' A' ' 54' ' ' GLU . 80.9 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 3.27 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.379 . . . . 2.71 109.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 56' ' ' ALA . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 2.7799999999999998 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 5.7199999999999998 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.67 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 2.7799999999999998 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.4100000000000001 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0800000000000001 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.82999999999999996 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.551 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.3 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.1399999999999999 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.3300000000000001 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.514 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.1499999999999999 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.89000000000000001 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 1.0900000000000001 109.357 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 3.6499999999999999 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.76 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.45 108.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.02 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 1.6699999999999999 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.5700000000000003 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG13 HG23 ' A' ' 44' ' ' THR . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 2.0899999999999999 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 53' ' ' CYS . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.329 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.5600000000000001 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.47999999999999998 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.55000000000000004 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.3300000000000001 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.84999999999999998 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 3.7000000000000002 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.88 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.78000000000000003 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.69999999999999996 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.641 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.48999999999999999 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.54000000000000004 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.803 ' HB2' HG11 ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.1899999999999999 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.2000000000000002 110.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 1.76 111.049 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.3199999999999998 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HG13 ' A' ' 24' ' ' VAL . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.3600000000000001 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.4399999999999999 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.1699999999999999 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.5900000000000001 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.0999999999999996 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.47 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.0499999999999998 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 6.75 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.5800000000000001 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 55' ' ' THR . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.3700000000000001 110.389 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.3500000000000001 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.3100000000000001 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.0499999999999998 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 3.2999999999999998 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.1800000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 2.4399999999999999 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 9' ' ' THR . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 3.1400000000000001 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.0899999999999999 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 5.9900000000000002 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 3.9700000000000002 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 4.6699999999999999 109.369 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.756 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.0099999999999998 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 3.73 109.245 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.003 -0.369 . . . . 2.6200000000000001 110.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 2.3599999999999999 109.291 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.3900000000000001 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.9199999999999999 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 2.7200000000000002 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.0499999999999998 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.89000000000000001 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66000000000000003 108.292 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.743 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.9199999999999999 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.5800000000000001 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.02 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.4100000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.02 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 1.1200000000000001 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 3.75 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB1' ' HG2' ' A' ' 52' ' ' ARG . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.8700000000000001 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.2 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4000000000000004 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.775 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.3400000000000001 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.3500000000000001 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.429 ' N ' ' SD ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 6.2999999999999998 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.62 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.80000000000000004 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.81999999999999995 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 1.3200000000000001 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 5.9000000000000004 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.78000000000000003 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.62 110.308 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.62 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.51000000000000001 109.31 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG11 ' A' ' 28' ' ' VAL . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.3 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 1.79 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 1.6299999999999999 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.2000000000000002 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.765 HG23 HG21 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.22 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.4700000000000002 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.8399999999999999 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.3600000000000001 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 48' ' ' VAL . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.1400000000000001 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.3300000000000001 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.8799999999999999 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 7.8099999999999996 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 6.04 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.0899999999999999 108.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.2300000000000004 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' THR . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.25 110.391 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.28 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7000000000000002 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.0 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.4500000000000002 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 2.7200000000000002 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.9199999999999999 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 4.75 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 6.2699999999999996 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 4.4699999999999998 110.291 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 3.6600000000000001 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 3.6099999999999999 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 3.5299999999999998 109.274 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 14.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.013 -0.365 . . . . 2.1000000000000001 110.013 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.795 HG21 HD21 ' A' ' 25' ' ' LEU . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 2.8900000000000001 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 2.0499999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 2.2400000000000002 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 9' ' ' THR . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.82999999999999996 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66000000000000003 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.8100000000000001 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.755 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.3600000000000001 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.8500000000000001 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' HD13 ' A' ' 25' ' ' LEU . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.85999999999999999 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 1.1799999999999999 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 2.6299999999999999 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.3500000000000001 108.364 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.6299999999999999 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.0600000000000001 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.1600000000000001 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.75 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.795 HD21 HG21 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.1000000000000001 109.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.9900000000000002 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 2.6499999999999999 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG22 HG22 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.64000000000000001 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.76000000000000001 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6000000000000001 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 0.81999999999999995 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.77 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.1200000000000001 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.78000000000000003 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.80000000000000004 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.60999999999999999 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.68999999999999995 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.64000000000000001 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.29 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.97 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 2.1899999999999999 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.1900000000000004 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 44' ' ' THR . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.02 110.422 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.1400000000000001 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.009 ' HB2' HG21 ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 1.77 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.1200000000000001 109.268 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.54 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.2999999999999998 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 6.4199999999999999 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' O ' ' HB1' ' A' ' 19' ' ' ALA . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.0899999999999999 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1600000000000001 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 2.7400000000000002 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 55' ' ' THR . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.1200000000000001 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.3799999999999999 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 3.7200000000000002 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.1400000000000001 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.9500000000000002 109.247 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 3.6299999999999999 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 6.9900000000000002 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 4.4400000000000004 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.1299999999999999 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 3.7000000000000002 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 3' ' ' SER . 47.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 3.4700000000000002 109.289 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.532 ' N ' HD23 ' A' ' 68' ' ' LEU . 9.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.033 -0.358 . . . . 2.6299999999999999 110.033 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 2.8500000000000001 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 3.5499999999999998 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 2.3900000000000001 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.734 ' HA ' HG21 ' A' ' 38' ' ' ILE . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.592 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.3100000000000001 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' CB ' HG13 ' A' ' 38' ' ' ILE . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66000000000000003 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 2.1899999999999999 109.344 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.5600000000000001 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.665 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 1.4199999999999999 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 2.52 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.3100000000000001 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.631 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.76000000000000001 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 39' ' ' ALA . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0700000000000001 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.75 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.9099999999999999 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 25' ' ' LEU . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.21 108.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.6600000000000001 109.271 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.3700000000000001 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 47' ' ' CYS . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 1.79 109.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.85999999999999999 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.6200000000000001 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.8900000000000001 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.58999999999999997 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.81000000000000005 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.8999999999999999 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 0.71999999999999997 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.2 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.1500000000000004 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.67000000000000004 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.58999999999999997 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.56999999999999995 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.80000000000000004 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.46999999999999997 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.459 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.73 110.031 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.02 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 1.53 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 6.54 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 1.28 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.3200000000000001 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.0600000000000001 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 1.9299999999999999 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.0800000000000001 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 6.7800000000000002 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.1600000000000001 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.984 ' O ' HG23 ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.3799999999999999 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 2.9199999999999999 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 55' ' ' THR . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.3300000000000001 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.3 108.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' C ' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 2.8799999999999999 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 4.1100000000000003 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 2.8900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 2.52 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.4199999999999999 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.1900000000000004 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.1900000000000004 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 3.3999999999999999 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 4.2599999999999998 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 3' ' ' SER . 1.4 mm? . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.1000000000000001 109.242 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' TYR . 28.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 2.2999999999999998 110.018 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 56' ' ' ALA . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 2.8799999999999999 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 3.3900000000000001 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 2.1000000000000001 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 3.1899999999999999 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.89000000000000001 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76000000000000001 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.3700000000000001 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.1899999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.3799999999999999 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.0699999999999998 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.64 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.93999999999999995 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.56 HG23 ' SG ' ' A' ' 16' ' ' CYS . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.1399999999999999 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.1000000000000001 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.925 ' SG ' HG12 ' A' ' 24' ' ' VAL . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.8899999999999999 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.3999999999999999 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' PRO . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.1400000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.925 HG12 ' SG ' ' A' ' 20' ' ' CYS . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.2999999999999998 109.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.1599999999999999 109.314 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.1499999999999999 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 2.8199999999999998 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.60999999999999999 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.02 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.96999999999999997 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 0.72999999999999998 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 0.92000000000000004 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 3.9500000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.93000000000000005 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.77000000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81000000000000005 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.47999999999999998 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.53000000000000003 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.74 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.8200000000000001 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 4.6299999999999999 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 1.7 110.42 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.5299999999999998 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.8099999999999996 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.1499999999999999 108.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.9100000000000001 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.3599999999999999 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.6299999999999999 108.347 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 6.3600000000000003 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.5599999999999996 110.369 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.3199999999999998 108.309 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 2.8799999999999999 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' O ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 2.8300000000000001 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 6.3399999999999999 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.5099999999999998 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 61' ' ' PHE . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 4.6299999999999999 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.46 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 5.8399999999999999 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 4.8399999999999999 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 66' ' ' VAL . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 3.7000000000000002 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.5700000000000003 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 109.281 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' TYR . 2.7 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.996 -0.372 . . . . 2.2400000000000002 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 3.2000000000000002 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.7000000000000002 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 2.73 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 2.5099999999999998 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.3199999999999998 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 9' ' ' THR . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.02 110.406 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.1899999999999999 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 1.25 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.5700000000000001 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 3.6699999999999999 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.1600000000000001 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 0.75 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' SG ' ' A' ' 16' ' ' CYS . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.96999999999999997 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 2.6600000000000001 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.1499999999999999 108.314 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 47' ' ' CYS . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.1400000000000001 109.35 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 47' ' ' CYS . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.76 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 16' ' ' CYS . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.91000000000000003 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 2.6400000000000001 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.64 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.58999999999999997 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.75 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.0900000000000001 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.87 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 1.0800000000000001 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 3.54 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.73999999999999999 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.60999999999999999 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.64 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.51000000000000001 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.53000000000000003 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB2' HG11 ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.91000000000000003 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 1.77 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 4.2800000000000002 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 HG11 ' A' ' 24' ' ' VAL . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 1.3400000000000001 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.1600000000000001 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.0699999999999998 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.72 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 48' ' ' VAL . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.4199999999999999 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 1.8300000000000001 110.949 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.9900000000000002 108.32 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 5.9299999999999997 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 5.4100000000000001 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.0899999999999999 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 2.8599999999999999 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.4399999999999999 108.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 2.7799999999999998 110.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.0 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.619 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.3900000000000001 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 59' ' ' THR . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 3.3999999999999999 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 64' ' ' ILE . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.6699999999999999 109.994 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.733 HD12 ' HB3' ' A' ' 63' ' ' SER . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 6.1600000000000001 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HG2' HG22 ' A' ' 64' ' ' ILE . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.0999999999999996 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 3.5299999999999998 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 4.7699999999999996 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.1399999999999997 109.278 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.401 ' N ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.023 -0.362 . . . . 2.6800000000000002 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.6299999999999999 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.0299999999999998 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.21 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 2.0899999999999999 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3300000000000001 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 9' ' ' THR . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65000000000000002 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 11' ' ' ILE . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.3600000000000001 109.339 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.1499999999999999 108.268 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' THR . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 2.7000000000000002 110.389 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.1499999999999999 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG12 ' HB1' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 2.5 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.2799999999999998 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.9299999999999999 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0700000000000001 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.6499999999999999 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' ASP . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.5299999999999998 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 47' ' ' CYS . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.6799999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD21 HG11 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.92000000000000004 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' VAL . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.2000000000000002 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.80000000000000004 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.05 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.6100000000000001 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.6699999999999999 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.02 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 1.24 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 5.9500000000000002 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.72999999999999998 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.65000000000000002 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.73999999999999999 110.371 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.021 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.68000000000000005 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.52000000000000002 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.3500000000000001 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.76 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.1299999999999999 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 4.6500000000000004 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 44' ' ' THR . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.3600000000000001 110.466 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.8500000000000001 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.727 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.6699999999999999 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.914 ' HB2' HG21 ' A' ' 24' ' ' VAL . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.3200000000000001 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 2.9700000000000002 109.226 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.5900000000000001 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.4399999999999999 108.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.1200000000000001 110.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.0299999999999998 108.268 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.4399999999999999 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 2.2599999999999998 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.6000000000000001 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.29 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 3.5800000000000001 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.8700000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 3.6499999999999999 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.27 109.278 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.8999999999999999 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 8.3399999999999999 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 3.7799999999999998 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 5.6699999999999999 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 4.3099999999999996 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 3' ' ' SER . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.29 109.349 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.011 -0.366 . . . . 2.46 110.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 2.5899999999999999 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.0099999999999998 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.1400000000000001 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 2.6299999999999999 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.489 ' CB ' ' HB2' ' A' ' 61' ' ' PHE . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.1100000000000001 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 1.49 109.339 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.3400000000000001 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 3.1400000000000001 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.803 ' O ' HD13 ' A' ' 25' ' ' LEU . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 1.0600000000000001 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.3300000000000001 109.336 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 3.6099999999999999 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.8400000000000001 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.1299999999999999 108.309 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.6699999999999999 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.71 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.6699999999999999 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 1.6399999999999999 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.26 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.9500000000000002 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.44 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.59999999999999998 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 38' ' ' ILE . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.0800000000000001 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.8400000000000001 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.64000000000000001 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 0.89000000000000001 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 3.7799999999999998 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.71999999999999997 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.56000000000000005 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.69999999999999996 110.287 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.73999999999999999 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.55000000000000004 109.366 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.93999999999999995 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 2.1800000000000002 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 1.6599999999999999 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 3.3100000000000001 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 44' ' ' THR . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.1499999999999999 110.381 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.6400000000000001 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.3200000000000001 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.2200000000000002 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.5800000000000001 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.1800000000000002 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ARG . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 7.8799999999999999 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 5.9500000000000002 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.2000000000000002 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.4100000000000001 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.4399999999999999 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.46 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 63' ' ' SER . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 2.8100000000000001 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.3099999999999996 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 2.7599999999999998 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 63' ' ' SER . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.9199999999999999 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.633 ' HB3' HG23 ' A' ' 59' ' ' THR . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 4.1399999999999997 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 6.5300000000000002 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 4.9500000000000002 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.1699999999999999 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.5499999999999998 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.6899999999999999 109.255 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.995 -0.372 . . . . 2.5600000000000001 109.995 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 3.25 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.8199999999999998 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 2.6600000000000001 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 2.5699999999999998 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2000000000000002 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 9' ' ' THR . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.97999999999999998 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91000000000000003 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.26 109.324 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.4299999999999999 110.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 14' ' ' THR . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.0899999999999999 110.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.1699999999999999 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.84999999999999998 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.588 HG23 ' SG ' ' A' ' 16' ' ' CYS . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 1.1399999999999999 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 3.4199999999999999 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.02 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 24' ' ' VAL . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.01 108.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.3799999999999999 110.951 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 1.5800000000000001 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4000000000000004 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 25' ' ' LEU . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 2.7999999999999998 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.90000000000000002 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 2.71 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.63 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.76000000000000001 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.1599999999999999 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.1299999999999999 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.68999999999999995 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 1.02 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 3.4399999999999999 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.76000000000000001 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.68000000000000005 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.60999999999999999 110.384 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.57999999999999996 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.52000000000000002 109.363 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0900000000000001 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.1200000000000001 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 1.95 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.3700000000000001 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.29 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.6299999999999999 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.2200000000000002 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.51 108.333 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 ' O ' HG12 ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 3.2999999999999998 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.4199999999999999 111.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1000000000000001 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 5.7199999999999998 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' CD ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 5.2999999999999998 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.636 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.3799999999999999 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.1799999999999997 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 53' ' ' CYS . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 3.1600000000000001 110.336 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.2400000000000002 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.486 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.3400000000000001 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.48 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 4.29 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 2.7000000000000002 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.1699999999999999 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 4.75 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 62' ' ' LEU . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 6.46 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 3.6600000000000001 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.3100000000000001 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.48 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.5 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 3.2400000000000002 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.012 -0.366 . . . . 3.6699999999999999 110.012 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.811 HG21 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 3.9300000000000002 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 4.7699999999999996 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 7.6200000000000001 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 3.9100000000000001 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.6299999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 9' ' ' THR . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.6799999999999999 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.3500000000000001 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.6499999999999999 109.338 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.8300000000000001 108.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 2.9399999999999999 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.863 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.05 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 ' SG ' ' A' ' 16' ' ' CYS . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.3700000000000001 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 2.2799999999999998 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.3999999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.3999999999999999 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2000000000000002 111.025 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD12 ' CG2' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 2.7999999999999998 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.0599999999999996 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HD12 ' A' ' 22' ' ' LEU . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.3799999999999999 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 1.24 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.8300000000000001 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 38' ' ' ILE . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.56000000000000005 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.73999999999999999 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.7400000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.1899999999999999 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 1.7 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.5699999999999998 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.6599999999999999 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.0900000000000001 110.339 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.616 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.1599999999999999 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.22 109.259 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.29 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.2400000000000002 109.989 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 3.3799999999999999 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 3.4300000000000002 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' CYS . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 1.4299999999999999 110.427 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.7999999999999998 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.6200000000000001 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.3400000000000001 108.355 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 2.98 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.48 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' LYS . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.5499999999999998 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.7699999999999996 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' C ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.2300000000000004 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.8500000000000001 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.9300000000000002 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' N ' ' OG1' ' A' ' 55' ' ' THR . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.0499999999999998 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 108.222 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 4.4100000000000001 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 5.5199999999999996 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 4.2199999999999998 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 58' ' ' PRO . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 3.4500000000000002 109.252 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 5.4699999999999998 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 6.9100000000000001 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 5.9500000000000002 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 5.9900000000000002 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HG12 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 5.2999999999999998 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.811 HD23 HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 4.1799999999999997 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.056 -0.35 . . . . 6.3799999999999999 110.056 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' VAL . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.0899999999999999 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 8.0299999999999994 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 2.2200000000000002 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.9399999999999999 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 0.98999999999999999 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.90000000000000002 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.4299999999999999 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.5600000000000001 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.6699999999999999 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 3.98 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 55' ' ' THR . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.8700000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 1.1100000000000001 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 39' ' ' ALA . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 1.04 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 2.5099999999999998 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.76 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.544 ' SG ' HG12 ' A' ' 24' ' ' VAL . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.1399999999999999 108.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0499999999999998 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.0599999999999996 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.731 HG21 HG23 ' A' ' 44' ' ' THR . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 2.0600000000000001 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.6000000000000001 109.248 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 2.73 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.87 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.4199999999999999 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1000000000000001 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.89000000000000001 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 1.24 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 3.71 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.1100000000000001 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.01 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.1399999999999999 110.295 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.81000000000000005 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.69999999999999996 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.03 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.8799999999999999 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.561 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 1.5900000000000001 111.032 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.0699999999999998 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.731 HG23 HG21 ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.96999999999999997 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.0099999999999998 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.1699999999999999 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.6599999999999999 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.1099999999999999 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.4099999999999999 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.8999999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HG3' HD11 ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 5.5899999999999999 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HD3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 5.9000000000000004 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.0099999999999998 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.5099999999999998 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.574 ' O ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.53 108.279 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.0999999999999996 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.486 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 2.9500000000000002 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 3.1600000000000001 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.5199999999999996 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 6.6600000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 6.0700000000000003 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 6.5999999999999996 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.605 ' CE1' HD13 ' A' ' 62' ' ' LEU . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 10.039999999999999 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 3.8900000000000001 109.323 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.057 -0.349 . . . . 2.3799999999999999 110.057 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 2.5499999999999998 109.302 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.02 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 4.4900000000000002 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 2.1899999999999999 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.0600000000000001 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.79000000000000004 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.83999999999999997 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 1.6699999999999999 109.251 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 3.21 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.7 pt20 -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.1600000000000001 110.347 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.94999999999999996 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.1899999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.0800000000000001 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 1.72 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.657 ' SG ' HD12 ' A' ' 25' ' ' LEU . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.1799999999999999 108.244 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 2.3999999999999999 109.363 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 47' ' ' CYS . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 2.75 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.1599999999999999 109.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.6800000000000002 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 2.8300000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.53000000000000003 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.68000000000000005 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.0900000000000001 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.67000000000000004 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 0.91000000000000003 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 6.1100000000000003 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.66000000000000003 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.55000000000000004 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.78000000000000003 110.318 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.68999999999999995 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.53000000000000003 109.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.92000000000000004 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.662 ' O ' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.4700000000000002 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 1.8700000000000001 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 3.2400000000000002 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.1100000000000001 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.0899999999999999 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.687 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 2.8199999999999998 108.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 48' ' ' VAL . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 6.3700000000000001 109.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 2.8100000000000001 111.024 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 51' ' ' LYS . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.5699999999999998 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 10.880000000000001 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.0800000000000001 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.1500000000000004 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 2.2400000000000002 110.419 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 4' ' ' VAL . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.3199999999999998 109.301 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.3899999999999999 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.2799999999999998 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 3.1800000000000002 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 2.46 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 2.79 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.04 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 59' ' ' THR . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 7.2999999999999998 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 5.1299999999999999 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CA ' ' HB2' ' A' ' 3' ' ' SER . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.3199999999999998 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 3.54 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 4.1399999999999997 109.265 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.01 -0.367 . . . . 2.3199999999999998 110.01 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 2.1899999999999999 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 40' ' ' SER . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 2.1099999999999999 109.341 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 2.77 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.523 ' OG1' ' CB ' ' A' ' 57' ' ' CYS . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.94999999999999996 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.80000000000000004 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 2.1299999999999999 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.3100000000000001 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.657 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 2.8100000000000001 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.49 ' HG3' HG21 ' A' ' 55' ' ' THR . 0.9 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.2400000000000002 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.81000000000000005 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.90000000000000002 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 2.8599999999999999 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.6000000000000001 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' HG12 ' A' ' 24' ' ' VAL . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 1.2 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.8400000000000001 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.4399999999999999 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 20' ' ' CYS . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.27 109.263 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' CYS . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.1399999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.1699999999999999 110.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.56000000000000005 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.80000000000000004 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.0499999999999998 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.82999999999999996 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.1599999999999999 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 3.6699999999999999 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.78000000000000003 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.76000000000000001 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.60999999999999999 110.308 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.682 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.51000000000000001 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.0600000000000001 110.031 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.78 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 1.53 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 3.8500000000000001 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.1100000000000001 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.1499999999999999 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.1299999999999999 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.29 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.1000000000000001 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.0899999999999999 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.9399999999999999 108.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.1500000000000004 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 5.21 110.341 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.5299999999999998 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 56' ' ' ALA . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.6200000000000001 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' N ' HG23 ' A' ' 55' ' ' THR . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.2200000000000002 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.3300000000000001 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 4.7599999999999998 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.6600000000000001 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 2.48 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.2400000000000002 109.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.3799999999999999 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 6.5999999999999996 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 5.8600000000000003 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 3.5499999999999998 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 3.5 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' SER . 41.1 mt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 3.3599999999999999 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.943 -0.391 . . . . 4.8200000000000003 109.943 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.48 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.8799999999999999 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 2.54 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.4100000000000001 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.8999999999999999 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.415 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.84999999999999998 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 1.45 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.626 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 2.8100000000000001 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 55' ' ' THR . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.8199999999999998 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.719 ' O ' HD22 ' A' ' 25' ' ' LEU . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.97999999999999998 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 3.3900000000000001 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.0800000000000001 109.27 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB2' HD12 ' A' ' 25' ' ' LEU . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.29 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.8300000000000001 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 47' ' ' CYS . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 1.79 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.5300000000000002 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.507 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.1200000000000001 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.1100000000000001 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.0499999999999998 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 2.54 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.42999999999999999 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.69999999999999996 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.1400000000000001 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.69999999999999996 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.2000000000000002 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.66000000000000003 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.69999999999999996 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.80000000000000004 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.46000000000000002 109.274 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.96999999999999997 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.1299999999999999 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 1.8999999999999999 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 4.3899999999999997 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.2 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.5899999999999999 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.1499999999999999 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.838 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.0800000000000001 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.6299999999999999 110.99 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 51' ' ' LYS . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.2599999999999998 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 9.9499999999999993 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 10.91 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.2400000000000002 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 1.97 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 62' ' ' LEU . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.1899999999999999 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.6200000000000001 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 3.7400000000000002 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.4399999999999999 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 3.0499999999999998 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 3.21 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.662 ' C ' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.46 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' C ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 8.1099999999999994 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.0099999999999998 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 3.7000000000000002 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 4.6900000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 2.8900000000000001 109.309 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.973 -0.38 . . . . 2.8300000000000001 109.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 56' ' ' ALA . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.8300000000000001 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 4.3399999999999999 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 40' ' ' SER . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 2.0600000000000001 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.89000000000000001 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.70999999999999996 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.6499999999999999 109.312 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.4099999999999999 110.959 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 3.2000000000000002 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.53 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.02 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 25' ' ' LEU . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.1399999999999999 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 2.4900000000000002 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.1699999999999999 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.4300000000000002 109.218 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.8500000000000001 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HB2' ' A' ' 47' ' ' CYS . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.1899999999999999 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 4.9400000000000004 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.54000000000000004 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.64000000000000001 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.4900000000000002 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.82999999999999996 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 1.3799999999999999 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 3.3700000000000001 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.97999999999999998 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79000000000000004 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.985 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.52000000000000002 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.68999999999999995 109.314 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.723 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0600000000000001 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.6399999999999999 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 2.3799999999999999 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 3.6699999999999999 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.6200000000000001 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.9700000000000002 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.891 ' HB2' HG21 ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.4199999999999999 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 49' ' ' GLY . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.1400000000000001 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 48' ' ' VAL . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 6.1600000000000001 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 6.2300000000000004 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.0099999999999998 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.5199999999999996 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.663 HG23 ' HG3' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.3199999999999998 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.3799999999999999 109.231 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.76 ' C ' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.2 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.2599999999999998 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 2.2999999999999998 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 ' C ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 2.77 109.313 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.0999999999999996 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 65' ' ' ARG . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 6.2800000000000002 109.202 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 3.8199999999999998 110.29 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.3199999999999998 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.73 111.034 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 3.5600000000000001 109.288 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.368 . . . . 2.4500000000000002 110.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 56' ' ' ALA . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 2.6200000000000001 109.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 3.7799999999999998 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 2.0499999999999998 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 3.1099999999999999 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.684 HG21 HD22 ' A' ' 62' ' ' LEU . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.4399999999999999 110.442 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91000000000000003 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 1.4199999999999999 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.1399999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.3600000000000001 108.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 3.2999999999999998 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG3' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.926 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0800000000000001 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.958 HG21 ' HB1' ' A' ' 39' ' ' ALA . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 1.77 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.25 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.5699999999999998 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.3700000000000001 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.8500000000000001 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 22' ' ' LEU . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.6100000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.2800000000000002 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.8600000000000001 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG22 ' A' ' 17' ' ' VAL . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.03 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.9399999999999999 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 2.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.46000000000000002 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.64000000000000001 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.6499999999999999 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8999999999999999 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.78000000000000003 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 1.4199999999999999 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 6.1200000000000001 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.96999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.83999999999999997 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.89000000000000001 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.66000000000000003 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.958 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.52000000000000002 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.04 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 3.1899999999999999 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 2.3500000000000001 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 4.2999999999999998 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.1799999999999999 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.0300000000000002 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.775 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.5600000000000001 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.754 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.72 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 3.5800000000000001 109.28 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.1299999999999999 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.8399999999999999 108.374 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.1100000000000003 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 5.3700000000000001 110.216 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.4700000000000002 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 2.1400000000000001 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.1299999999999999 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 4.9800000000000004 110.971 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.4900000000000002 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 2.7000000000000002 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.3500000000000001 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 4.8700000000000001 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 58' ' ' PRO . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.0899999999999999 109.338 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 5.2300000000000004 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 3.48 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 3.9199999999999999 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 26.1 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.992 -0.373 . . . . 5.4699999999999998 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.745 HG12 ' HB2' ' A' ' 56' ' ' ALA . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 2.8199999999999998 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 2.9700000000000002 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 2.1200000000000001 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 2.2599999999999998 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' THR . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.78000000000000003 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.72999999999999998 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 1.5 109.344 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.6699999999999999 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.411 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 3.9100000000000001 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.627 ' O ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.1599999999999999 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 2.4900000000000002 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 1.6499999999999999 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 25' ' ' LEU . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.24 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.49 111.006 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.5800000000000001 109.299 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.2999999999999998 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB2' ' A' ' 47' ' ' CYS . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 3.0600000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD21 HG11 ' A' ' 4' ' ' VAL . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.1299999999999999 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.1200000000000001 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 2.79 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.54000000000000004 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.57999999999999996 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.1100000000000001 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.0699999999999998 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 0.69999999999999996 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 0.97999999999999998 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.1899999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.76000000000000001 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.64000000000000001 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78000000000000003 110.349 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 0.64000000000000001 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.52000000000000002 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.87 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 2.3100000000000001 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 1.5700000000000001 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 2.9300000000000002 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 1.03 110.409 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.6699999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.722 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.4199999999999999 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 3.8700000000000001 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 2.7200000000000002 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.1800000000000002 108.312 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 5.96 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.9699999999999998 110.28 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.6600000000000001 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.8999999999999999 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.3900000000000001 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.745 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.269 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.8400000000000001 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.3999999999999999 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 63' ' ' SER . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 3.71 110.414 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.1600000000000001 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 2.8500000000000001 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 3.79 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.57 ' CB ' HG23 ' A' ' 59' ' ' THR . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 3.5099999999999998 110.028 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' HD3' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 5.8600000000000003 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 4.3899999999999997 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.0499999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 5.5999999999999996 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 68' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 4.79 109.286 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.99 -0.374 . . . . 2.27 109.99 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 2.6000000000000001 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 4.2199999999999998 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.99 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.3799999999999999 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.0699999999999998 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 9' ' ' THR . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.02 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 1.75 109.297 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.3200000000000001 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 2.8399999999999999 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.0600000000000001 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.668 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.89000000000000001 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.22 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 2.8100000000000001 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.6200000000000001 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' A' ' 24' ' ' VAL . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 1.4299999999999999 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 1.8700000000000001 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.5800000000000001 109.306 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.8100000000000001 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG11 HG23 ' A' ' 44' ' ' THR . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.95 109.332 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.6299999999999999 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.9199999999999999 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 2.9700000000000002 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.48999999999999999 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.62 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 0.72999999999999998 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 1.1000000000000001 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 3.4300000000000002 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.67000000000000004 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.56999999999999995 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56000000000000005 110.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.64000000000000001 109.283 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.2999999999999998 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.95 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.3399999999999999 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.8799999999999999 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.563 HG23 HG11 ' A' ' 24' ' ' VAL . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.1000000000000001 110.42 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.1899999999999999 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.3300000000000001 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.74 108.31 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 3.8599999999999999 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' VAL . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.6100000000000001 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.25 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 8.8200000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 9.7699999999999996 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 2.9199999999999999 108.318 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 4.3899999999999997 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 2.8500000000000001 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 2.2999999999999998 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.55 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.4300000000000002 111.043 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.1499999999999999 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' H ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.7799999999999998 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 2.3399999999999999 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 2.8199999999999998 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 4.2800000000000002 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 6.4299999999999997 109.315 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 4.8300000000000001 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 3.4100000000000001 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.1500000000000004 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.092 -0.336 . . . . 2.77 110.092 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 3.4900000000000002 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 3.6200000000000001 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 1.9199999999999999 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 2.3599999999999999 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.2400000000000002 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.518 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.26 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81000000000000005 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 1.3600000000000001 109.319 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.3500000000000001 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 3.52 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.473 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.1200000000000001 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 1.1100000000000001 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.1799999999999999 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.2999999999999998 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.6499999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.1599999999999999 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.6599999999999999 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.3700000000000001 109.329 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.8899999999999997 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 25' ' ' LEU . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.2200000000000002 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' H ' HG12 ' A' ' 24' ' ' VAL . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.3199999999999998 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.75 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.81999999999999995 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.83999999999999997 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.1399999999999999 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.3399999999999999 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 0.81999999999999995 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 1.0600000000000001 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.9500000000000002 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.87 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.79000000000000004 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.66000000000000003 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.019 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.56000000000000005 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.5 109.285 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0700000000000001 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 2.3199999999999998 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 1.6000000000000001 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 3.5699999999999998 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 1.0600000000000001 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.5299999999999998 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 24' ' ' VAL . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.3799999999999999 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 2.9700000000000002 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.52 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.3199999999999998 108.327 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.0099999999999998 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.6799999999999997 110.27 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.1800000000000002 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.4199999999999999 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.7999999999999998 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.9300000000000002 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.3300000000000001 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.5699999999999998 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.27 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6000000000000001 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 3.0099999999999998 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 2.6600000000000001 109.29 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 4.5499999999999998 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.0300000000000002 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 5.1699999999999999 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 3.3100000000000001 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 3.5600000000000001 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.8300000000000001 109.359 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.957 -0.386 . . . . 3.1299999999999999 109.957 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 2.25 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.04 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.0099999999999998 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 2.98 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.1000000000000001 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.46 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.8300000000000001 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 4.3300000000000001 110.375 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' THR . 16.5 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.6899999999999999 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' O ' HD22 ' A' ' 25' ' ' LEU . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.27 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 1.04 109.281 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 2.7400000000000002 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.04 108.248 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 1.5900000000000001 109.284 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.2999999999999998 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' OG ' ' A' ' 41' ' ' SER . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.95 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.1200000000000001 109.272 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.3700000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 2.5800000000000001 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.778 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.45000000000000001 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.64000000000000001 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.3300000000000001 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.72999999999999998 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.05 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 3.6800000000000002 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.94999999999999996 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78000000000000003 110.285 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.628 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.5 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 0.69999999999999996 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.96999999999999997 110.048 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.513 ' OG ' HG12 ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 1.8899999999999999 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 1.6100000000000001 110.996 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 2.8399999999999999 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 1.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.4100000000000001 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.7799999999999998 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.3600000000000001 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 3.3199999999999998 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 1.71 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.3700000000000001 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.0300000000000002 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 5.8099999999999996 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.3100000000000001 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.0600000000000001 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.6800000000000002 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.24 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 2.9900000000000002 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 3.52 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.7599999999999998 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.71 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 5.2699999999999996 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 65' ' ' ARG . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.2699999999999996 109.239 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 3.9199999999999999 110.289 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.23 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 3.9100000000000001 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 3.4100000000000001 109.345 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.978 -0.378 . . . . 2.4399999999999999 109.978 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 2.6499999999999999 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 2.9100000000000001 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 2.1800000000000002 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 2.3199999999999998 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.0600000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 1.46 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.93999999999999995 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG21 ' OD2' ' A' ' 60' ' ' ASP . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.3700000000000001 109.299 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.3999999999999999 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 3.7799999999999998 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.9500000000000002 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 25' ' ' LEU . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.03 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 2.3999999999999999 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.6699999999999999 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.3399999999999999 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 1.4199999999999999 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.9199999999999999 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.9399999999999999 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.4199999999999999 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.928 HG21 ' HB2' ' A' ' 47' ' ' CYS . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.9099999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 16' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.1699999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.5800000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 5.9199999999999999 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.59999999999999998 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.73999999999999999 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.1100000000000001 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.0099999999999998 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.71999999999999997 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 0.91000000000000003 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 3.7599999999999998 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.63 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.54000000000000004 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.57999999999999996 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.67000000000000004 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.63 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.6399999999999999 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 1.8 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 4.0700000000000003 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 44' ' ' THR . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 1.49 110.418 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.928 ' HB2' HG21 ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.3100000000000001 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' VAL . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 3.3399999999999999 109.232 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 1.8899999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.2799999999999998 108.289 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 5.96 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.2000000000000002 110.32 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.9299999999999999 108.322 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.1399999999999997 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 2.6499999999999999 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2000000000000002 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.6899999999999999 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.4300000000000002 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 62' ' ' LEU . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.9199999999999999 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.1900000000000004 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 3.0299999999999998 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 3.6600000000000001 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 6.5 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 5.5800000000000001 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 3.48 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.04 109.291 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.964 -0.384 . . . . 2.23 109.964 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 68' ' ' LEU . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 2.2000000000000002 109.34 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.0099999999999998 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 2.1099999999999999 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.7999999999999998 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.812 HG21 HD23 ' A' ' 62' ' ' LEU . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 1.54 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.97999999999999998 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 1.9099999999999999 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.4399999999999999 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.776 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.1699999999999999 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' LEU . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.91000000000000003 109.29 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 4.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.47 108.22 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.6400000000000001 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 1.73 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.3099999999999996 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.04 109.283 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 3.46 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.46000000000000002 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.60999999999999999 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.85999999999999999 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.1000000000000001 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 3.5499999999999998 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.78000000000000003 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.67000000000000004 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.54000000000000004 110.242 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.48999999999999999 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 0.5 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.01 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 3.3199999999999998 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.23 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 3.7599999999999998 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 1.6799999999999999 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.6899999999999999 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.817 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.77 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 3.9700000000000002 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.3300000000000001 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.8900000000000001 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 7.7699999999999996 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 4.6299999999999999 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.8100000000000001 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.3899999999999997 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 1.95 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.7 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.4399999999999999 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 4.2699999999999996 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.2300000000000004 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 3.7000000000000002 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 2.6600000000000001 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.6299999999999999 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 8.0399999999999991 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.25 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 5.04 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 4.3899999999999997 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 HG12 ' A' ' 4' ' ' VAL . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 3.3999999999999999 109.281 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.99 -0.374 . . . . 2.0800000000000001 109.99 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 56' ' ' ALA . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.8199999999999998 109.283 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 3.46 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 2.1600000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 2.3999999999999999 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.3599999999999999 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.549 ' HA ' ' CD2' ' A' ' 61' ' ' PHE . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.84999999999999998 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.71999999999999997 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 HG21 ' CG ' ' A' ' 60' ' ' ASP . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.3799999999999999 109.3 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.3200000000000001 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 14' ' ' THR . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.23 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.9199999999999999 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.95999999999999996 109.31 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 2.9100000000000001 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.75 109.281 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.1200000000000001 108.304 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 1.8300000000000001 109.367 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.8300000000000001 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.8799999999999999 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.98999999999999999 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.4100000000000001 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 3.1800000000000002 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.51000000000000001 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.60999999999999999 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.0700000000000001 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.68999999999999995 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.01 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.9199999999999999 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.63 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.55000000000000004 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.55000000000000004 110.258 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.683 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.5 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.48999999999999999 109.324 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.3599999999999999 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.0899999999999999 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.0300000000000002 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 1.6000000000000001 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.1800000000000002 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.4100000000000001 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.3700000000000001 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 3.7200000000000002 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.96 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.6099999999999999 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.06 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 9.1500000000000004 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.5600000000000001 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.5899999999999999 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.2999999999999998 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.29 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.855 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.6200000000000001 110.997 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 3.3399999999999999 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.0099999999999998 109.308 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 2.2200000000000002 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 58' ' ' PRO . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 3.3999999999999999 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.5099999999999998 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 6.5899999999999999 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.5499999999999998 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 4.1200000000000001 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 3.5600000000000001 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 2.8999999999999999 109.317 -179.953 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.026 -0.361 . . . . 2.8500000000000001 110.026 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 4' ' ' VAL . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 2.5899999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 4.9800000000000004 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 3.8599999999999999 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 2.75 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.98999999999999999 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.1299999999999999 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.3999999999999999 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.0800000000000001 111.025 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.3899999999999999 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.0099999999999998 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.95 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.863 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.23 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.863 HG23 ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.28 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 3.1299999999999999 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 1.0600000000000001 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.5900000000000001 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.28 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.1100000000000003 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 ' HB2' ' A' ' 47' ' ' CYS . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.9299999999999999 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' SG ' ' A' ' 16' ' ' CYS . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.87 109.364 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 2.9100000000000001 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.62 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.5099999999999998 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 1.25 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 1.7 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.21 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.96999999999999997 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.76000000000000001 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.72999999999999998 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.73999999999999999 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.82999999999999996 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.92000000000000004 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 1.98 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.1600000000000001 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.1399999999999997 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 44' ' ' THR . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 1.3500000000000001 110.376 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.8900000000000001 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.5299999999999998 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.966 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.95 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 3.8599999999999999 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 1.8 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.1600000000000001 108.303 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 6.7300000000000004 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 4.9800000000000004 110.281 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.9500000000000002 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.1600000000000001 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.0299999999999998 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 55' ' ' THR . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.2999999999999998 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.5 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.3300000000000001 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 3.5699999999999998 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 3.1499999999999999 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' OG ' ' A' ' 3' ' ' SER . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 2.9399999999999999 109.249 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.3300000000000001 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 7.5099999999999998 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 4.75 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 6.7800000000000002 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 7.5800000000000001 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.0800000000000001 109.331 179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.004 -0.369 . . . . 2.1800000000000002 110.004 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 2.8599999999999999 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.3799999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 2.5 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 2.3599999999999999 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.4500000000000002 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 1.3 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 1.98 109.299 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.5700000000000001 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 3.5899999999999999 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 2.9 tt0 -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.94999999999999996 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 39' ' ' ALA . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 1.21 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 3.2400000000000002 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.1899999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.3400000000000001 108.269 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' CD ' ' HG3' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.6200000000000001 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.89 HD12 ' H ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 2.6200000000000001 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.3300000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 47' ' ' CYS . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.1299999999999999 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 1.77 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.1400000000000001 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.68999999999999995 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.91000000000000003 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.6299999999999999 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.4500000000000002 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.3500000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 1.3600000000000001 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 4.2300000000000004 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.3200000000000001 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.21 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.01 110.309 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.013 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.55000000000000004 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.5 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0800000000000001 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.3399999999999999 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 1.8500000000000001 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 4.4000000000000004 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 1.0900000000000001 110.391 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.8199999999999998 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.89 ' H ' HD12 ' A' ' 22' ' ' LEU . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.8799999999999999 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 4.25 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 1.7 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.2599999999999998 108.281 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.3700000000000001 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG3' ' CD ' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 6.3300000000000001 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.671 ' O ' HG22 ' A' ' 55' ' ' THR . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.6400000000000001 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.7300000000000004 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.2400000000000002 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.4700000000000002 109.347 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.5800000000000001 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.9500000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 3.52 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.8700000000000001 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 3.8799999999999999 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 56' ' ' ALA . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.2000000000000002 109.284 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 3.7599999999999998 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 5.6500000000000004 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.2699999999999996 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 3.2999999999999998 109.259 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.7200000000000002 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 3.2000000000000002 109.234 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 67' ' ' TYR . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.99 -0.374 . . . . 2.5099999999999998 109.99 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.1699999999999999 109.346 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 2.96 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 3.0899999999999999 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.0699999999999998 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.815 HG21 ' HG ' ' A' ' 62' ' ' LEU . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 1.4099999999999999 109.27 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.1799999999999999 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.4199999999999999 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.3300000000000001 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 55' ' ' THR . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.0299999999999998 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' HD22 ' A' ' 25' ' ' LEU . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.82999999999999996 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.26 109.359 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.3500000000000001 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 51' ' ' LYS . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 1.5700000000000001 109.248 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.776 ' SG ' HD12 ' A' ' 25' ' ' LEU . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.3 108.294 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.9199999999999999 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.4300000000000002 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' SG ' ' A' ' 20' ' ' CYS . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.2799999999999998 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.776 HD12 ' SG ' ' A' ' 20' ' ' CYS . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0900000000000001 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 3.1699999999999999 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.7 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.46000000000000002 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.60999999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.0299999999999998 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 0.88 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 1.1399999999999999 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.25 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.02 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.90000000000000002 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91000000000000003 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.7 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.77000000000000002 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.58999999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB2' HG11 ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 0.92000000000000004 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.1099999999999999 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 1.75 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.3100000000000001 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 44' ' ' THR . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.02 110.424 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.5099999999999998 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.6400000000000001 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.79 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 4.9400000000000004 109.315 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.979 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.7799999999999998 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.06 109.317 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 6.96 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.3099999999999996 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.2200000000000002 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.1800000000000002 109.303 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.708 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 108.253 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 5.3799999999999999 110.925 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 3.7999999999999998 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.4500000000000002 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 3.1099999999999999 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HG ' HG21 ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.8999999999999999 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.4500000000000002 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.1699999999999999 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.4500000000000002 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.6699999999999999 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.0499999999999998 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 3.3100000000000001 109.272 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.954 -0.388 . . . . 3.4700000000000002 109.954 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 68' ' ' LEU . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 2.2799999999999998 109.326 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HE3' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.0300000000000002 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 2.0899999999999999 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.25 111.024 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.765 HG21 HD11 ' A' ' 62' ' ' LEU . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.01 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.71999999999999997 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.3300000000000001 109.319 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.6299999999999999 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 2.8799999999999999 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' CYS . 13.5 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.9199999999999999 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 1.0900000000000001 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.24 109.279 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 2.5099999999999998 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.6299999999999999 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 24' ' ' VAL . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.45 108.256 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HG3' ' CD ' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 1.8999999999999999 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 2.0299999999999998 109.303 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.4100000000000001 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG11 ' SG ' ' A' ' 47' ' ' CYS . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 2.5800000000000001 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 16' ' ' CYS . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.1699999999999999 109.311 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.2200000000000002 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.0299999999999998 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.62 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.67000000000000004 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.8400000000000001 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 1.5700000000000001 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 1.77 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 4.3600000000000003 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.1499999999999999 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.93999999999999995 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.67000000000000004 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.87 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.66000000000000003 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.03 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 1.8 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 3.52 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' THR . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.04 110.427 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.5699999999999998 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.7199999999999998 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.732 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.4399999999999999 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 8.5 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 2.2400000000000002 111.032 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.8900000000000001 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 6.75 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CD ' ' HG3' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 4.7699999999999996 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.019 ' O ' HG23 ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.3599999999999999 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.52 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.1899999999999999 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.2000000000000002 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 2.9199999999999999 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5800000000000001 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 2.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.765 HD11 HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 3.21 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.1399999999999997 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.0999999999999996 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 3.8500000000000001 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 3.79 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.0599999999999996 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 2.8500000000000001 109.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.028 -0.36 . . . . 6.0899999999999999 110.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.8 p-80 -144.9 144.95 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 6.0700000000000003 109.641 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 68' ' ' LEU . 1.2 t 57.29 164.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 2.54 109.974 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.2 p -169.54 35.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 2.1400000000000001 109.311 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 6.9 mmmt -55.09 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 3.1099999999999999 109.293 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 ' O ' ' A' ' 41' ' ' SER . 3.9 mp -82.86 101.93 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 2.21 109.276 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 63' ' ' SER . 22.2 m-85 -129.28 153.6 47.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 2.8599999999999999 110.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 3.8 p-10 -88.49 42.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 1.9299999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.772 HG21 HD12 ' A' ' 62' ' ' LEU . 9.5 t -98.51 94.48 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1100000000000001 110.355 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 12.3 t -152.21 145.48 24.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.82999999999999996 108.311 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.853 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -131.7 -45.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.3200000000000001 109.299 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.73 45.35 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 1.8400000000000001 111.046 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 14' ' ' THR . 0.9 OUTLIER -95.57 -27.66 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.313 -0.995 . . . . 3.9399999999999999 108.313 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER 87.47 -31.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 2.79 110.403 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.932 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -54.67 149.24 11.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 2.27 110.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.31 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.75 108.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' SG ' ' A' ' 16' ' ' CYS . 11.9 t -89.8 23.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.98999999999999999 109.333 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.15 -51.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.71 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.6 ' HB1' ' HG3' ' A' ' 52' ' ' ARG . . . -75.77 84.8 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.8100000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 24' ' ' VAL . 17.0 t -178.91 93.63 0.21 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.1299999999999999 108.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.24 20.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 1.53 110.984 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.973 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.9 mp -94.24 -21.44 19.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 2.0600000000000001 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 72.56 74.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 3.48 109.307 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG12 ' HB3' ' A' ' 41' ' ' SER . 93.0 t -102.11 -64.29 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 1.8 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.3 mp -62.56 92.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.1200000000000001 109.332 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 21.5 mt-10 -106.21 -170.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 3.3100000000000001 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.97 134.69 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -128.02 172.47 6.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.64000000000000001 109.295 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 117.1 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.81999999999999995 110.99 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 59.8 t-105 -138.94 174.24 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 1.0800000000000001 108.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.9 t70 -141.33 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 2.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.86 -32.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.76000000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 168.76 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.298 -1.001 . . . . 0.93000000000000005 108.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.34 67.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 5.04 109.351 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.81 23.83 11.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.67000000000000004 109.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.18 51.6 5.2 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.456 1.098 . . . . 0.55000000000000004 110.999 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.38 121.83 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.69999999999999996 110.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.65 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -97.77 145.18 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.57999999999999996 109.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.19 106.77 14.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.64000000000000001 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.68 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.5 m -134.22 -179.81 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 1.1599999999999999 110.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.583 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.2 m -117.2 80.96 12.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 2.2799999999999998 110.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 2.0600000000000001 111.0 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -90.88 81.56 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 3.3799999999999999 110.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 44' ' ' THR . 89.7 m -86.5 21.12 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 1.1200000000000001 110.418 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.18 -30.44 16.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 2.7400000000000002 110.3 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.4 m-20 -115.26 108.92 17.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 2.7999999999999998 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 166.02 112.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.5 108.25 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.5 44.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 3.1699999999999999 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.85 61.12 5.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 1.75 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.666 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -82.18 169.47 16.56 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.254 -1.017 . . . . 2.2400000000000002 108.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 85.69 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 6.2400000000000002 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.843 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 1.9 tpt180 -141.03 -63.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 5.4500000000000002 110.267 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.7 p -42.42 -87.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 2.8500000000000001 108.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' CYS . 36.1 tt0 35.97 41.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 3.1600000000000001 110.261 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.638 HG23 ' HG3' ' A' ' 15' ' ' GLN . 12.3 t -161.82 27.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 2.0099999999999998 110.381 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -61.74 90.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 2.73 109.286 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.773 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 53.0 176.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 2.0699999999999998 108.28 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.07 4.05 5.11 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 2.5499999999999998 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.4 m 83.17 -8.29 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 4.4900000000000002 110.374 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -27.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 4.2000000000000002 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.419 ' N ' ' C ' ' A' ' 59' ' ' THR . 75.7 m-85 -120.22 -98.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 3.1600000000000001 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.772 HD12 HG21 ' A' ' 9' ' ' THR . 1.3 mp 38.18 89.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 3.02 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -39.54 135.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 6.2199999999999998 110.02 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 tp -64.08 91.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 5.9400000000000004 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.43 -42.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 5.25 110.302 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' CB ' ' A' ' 70' ' ' ALA . 93.2 t 65.61 136.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -159.34 -63.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 3.9199999999999999 110.98 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' GLY . 16.9 mt -43.31 124.24 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 3.3799999999999999 109.296 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 36.89 51.86 1.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 3.6899999999999999 111.027 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.576 ' CB ' HG12 ' A' ' 66' ' ' VAL . . . -122.75 -64.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 3.6200000000000001 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.4 tp10 -98.07 -58.14 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 9.0800000000000001 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' GLU . 32.6 p 38.4 48.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 5.3499999999999996 110.363 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.1 m -111.71 -54.56 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 8.1500000000000004 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -22.23 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 11.960000000000001 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' MET . 4.7 t -106.03 21.27 17.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 10.32 109.96 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.51 -62.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 9.2799999999999994 110.971 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -176.58 -38.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 13.52 111.014 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.01 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 14.279999999999999 109.326 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.712 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -42.82 -30.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 12.57 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 17.960000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.932 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.973 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.416 ' H2 ' ' HB2' ' A' ' 54' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.018 -0.364 . . . . 8.1300000000000008 110.018 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.94 ' CB ' HD21 ' A' ' 62' ' ' LEU . 10.8 m-70 -149.57 138.14 20.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 6.6699999999999999 109.634 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -66.7 171.44 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 2.6800000000000002 109.993 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.079 HG11 HD21 ' A' ' 25' ' ' LEU . 83.6 t -124.51 42.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 3.5600000000000001 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.77 160.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 3.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.4 mp -68.16 74.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.96 109.347 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.2 162.58 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 2.3199999999999998 110.973 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.4 p-10 -90.03 41.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 2.1600000000000001 109.232 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.671 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 8.7 t -89.89 93.72 9.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.85999999999999999 110.362 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.7 t -159.16 136.4 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.65000000000000002 108.4 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -117.11 -31.49 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 1.4299999999999999 109.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.84 41.0 0.27 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.4 1.062 . . . . 1.27 110.952 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' SG ' ' HG2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -106.37 175.96 5.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.279 -1.008 . . . . 1.3200000000000001 108.279 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.6 p -114.23 66.01 0.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 3.25 110.426 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.872 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.6 pt20 -150.16 143.94 25.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 2.2000000000000002 110.237 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 89.92 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.91000000000000003 108.317 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.9 t -87.14 10.92 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.94999999999999996 109.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -55.72 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 2.75 110.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.73 92.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 24' ' ' VAL . 46.3 t 179.32 102.03 0.16 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 108.34 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.522 1.801 . . . . 1.3 111.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.864 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.2 OUTLIER -48.03 -24.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.74 109.237 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 57.7 t0 64.37 73.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 3.21 109.301 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.747 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 5.6 p -118.01 -36.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 2.1899999999999999 109.274 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.079 HD21 HG11 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -66.55 107.86 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 1.1200000000000001 109.294 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' SER . 41.4 mt-10 -132.33 -167.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.7400000000000002 110.26 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -88.45 136.2 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 3.9100000000000001 111.047 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.809 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.76 173.72 3.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.75 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.02 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.544 1.813 . . . . 1.21 110.991 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 53.3 t-105 -134.46 176.18 8.85 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.992 -1.114 . . . . 1.1499999999999999 107.992 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 6.0 t0 -142.96 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 1.9299999999999999 109.275 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.91 -34.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.81999999999999995 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.64 169.84 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.289 -1.004 . . . . 0.92000000000000004 108.289 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -25.78 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.4500000000000002 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 27.5 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.41 49.92 2.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.58 1.175 . . . . 0.84999999999999998 111.0 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.22 119.82 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.70999999999999996 110.277 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.809 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -94.44 138.59 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.81000000000000005 109.336 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 101.9 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.63 109.328 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 m -162.46 177.53 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.49 109.985 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 120.23 71.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.0899999999999999 109.976 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.32 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 2.4900000000000002 110.986 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mtp180 -140.12 11.37 2.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 3.52 110.26 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 28.2 m 44.28 22.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.7 110.429 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.2 pt-20 -47.5 -30.29 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 4.1699999999999999 110.27 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -109.02 -166.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 3.9300000000000002 109.352 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 24.2 t 77.2 127.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.9199999999999999 108.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.48 -33.4 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.407 1.067 . . . . 3.3799999999999999 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.85 61.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.4 1.062 . . . . 1.9299999999999999 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.896 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -109.13 140.87 42.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.326 -0.991 . . . . 2.6699999999999999 108.326 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HG2' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -87.81 86.71 7.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 5.9100000000000001 109.234 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.704 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -159.95 64.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 4.9299999999999997 110.311 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.24 49.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 2.3700000000000001 108.34 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HB2' ' H2 ' ' A' ' 1' ' ' SER . 0.9 OUTLIER -98.2 60.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 4.0199999999999996 110.263 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' HG3' ' A' ' 15' ' ' GLN . 13.1 t -167.43 34.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 2.25 110.448 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 1.027 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -43.07 -46.06 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.604 1.19 . . . . 2.3300000000000001 109.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -175.86 169.89 1.34 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.3 108.336 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.98 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 2.1800000000000002 111.01 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 70.7 p -140.62 -153.57 0.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 1.165 . . . . 5.1900000000000004 110.442 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' THR . 4.7 t0 83.67 -46.53 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 5.2699999999999996 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 95.6 m-85 -120.07 -51.83 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 3.1299999999999999 110.954 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.94 HD21 ' CB ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER -42.9 96.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 4.1699999999999999 109.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.0 t -179.55 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 4.2800000000000002 109.998 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.05 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 6.2800000000000002 109.226 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 66' ' ' VAL . 3.4 mtt-85 -119.57 157.66 27.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 5.2800000000000002 110.298 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 65' ' ' ARG . 72.6 t -157.6 127.28 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 5.0999999999999996 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' LEU . 7.4 m-85 -115.4 -54.25 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 4.0599999999999996 110.998 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -39.82 101.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 4.5999999999999996 109.3 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.54 56.92 3.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 5.8700000000000001 111.042 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.84 -43.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 5.2999999999999998 109.362 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -43.96 -41.81 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 5.6299999999999999 110.257 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 76' ' ' MET . 19.5 p 39.48 50.49 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 9.2100000000000009 110.473 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -76.8 -32.91 57.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 7.4900000000000002 110.434 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.63 -18.64 29.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 15.5 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -115.45 8.96 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 15.109999999999999 109.993 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -35.69 -58.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 13.710000000000001 110.974 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.597 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -178.86 -39.2 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 17.170000000000002 110.978 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -109.44 -48.43 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 0.832 . . . . 15.970000000000001 109.255 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.765 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -41.6 -31.11 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 15.69 109.226 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 22.140000000000001 111.038 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.908 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.975 -0.38 . . . . 7.25 109.975 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 30.8 m80 -74.0 -165.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 6.3399999999999999 109.617 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.426 ' H ' HD12 ' A' ' 68' ' ' LEU . 3.0 t 64.11 149.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 2.1200000000000001 110.037 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.783 HG12 ' HB2' ' A' ' 56' ' ' ALA . 27.7 m -137.13 43.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 2.8500000000000001 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HE2' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -59.1 153.9 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 3.25 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.87 114.59 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 2.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CE2' ' HE2' ' A' ' 5' ' ' LYS . 13.9 m-85 -158.75 170.14 22.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 2.4199999999999999 111.039 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.622 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 10.3 p-10 -87.81 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.9299999999999999 109.347 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.794 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 10.0 t -83.98 93.14 8.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.04 110.384 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' CB ' HG13 ' A' ' 38' ' ' ILE . 6.0 t -162.16 133.87 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.63 108.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.079 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -113.64 -12.79 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 1.74 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 37.6 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 1.1799999999999999 111.002 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.789 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -110.04 167.78 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.274 -1.01 . . . . 1.1699999999999999 108.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' THR . 10.6 t -109.41 58.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 2.5899999999999999 110.356 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.3 pt20 -137.4 143.36 41.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 2.3300000000000001 110.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.7 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.75 108.329 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.446 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 3.1 t -89.29 15.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.91000000000000003 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.18 -47.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 3.0099999999999998 110.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.61 -52.6 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 2.2000000000000002 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.689 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 33.6 t -41.23 118.15 1.67 Allowed Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.596 1.185 . . . . 1.3 108.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 1.74 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.024 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 5.4 mp -81.14 -106.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 2.5 109.317 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t0 177.6 66.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 3.5600000000000001 109.246 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.863 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.6 p -104.75 -46.31 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 2.3399999999999999 109.276 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -71.54 93.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0700000000000001 109.315 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -115.5 -163.78 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 2.77 110.276 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.93 135.89 33.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 3.52 111.057 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.711 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -129.11 169.05 13.99 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.42999999999999999 109.288 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 117.02 4.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.55000000000000004 110.991 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.622 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.3 t-105 -135.79 174.52 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.968 -1.123 . . . . 1.0700000000000001 107.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 11.6 t0 -140.13 60.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.8700000000000001 109.239 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.91 -33.65 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.65000000000000002 110.995 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 169.17 18.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.308 -0.997 . . . . 1.03 108.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -64.46 -26.04 68.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 4.1799999999999997 109.286 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.27 22.57 14.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.62 109.253 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.99 51.48 3.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.55000000000000004 110.978 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -151.41 119.26 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.54000000000000004 110.343 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -96.84 143.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.53000000000000003 109.254 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.37 107.01 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.42999999999999999 109.313 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 2.5 m -139.15 -172.55 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 109.983 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -114.56 86.54 12.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 2.1000000000000001 109.961 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HG3' HG12 ' A' ' 28' ' ' VAL . 17.9 Cg_endo -75.07 -61.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 1.6000000000000001 110.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -87.44 84.63 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 6.9199999999999999 110.304 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 32.7 m -80.37 13.87 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 1.1100000000000001 110.378 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.33 -24.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.75 110.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -103.05 -161.62 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 3.27 109.288 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 49.1 t 70.21 143.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 1.72 108.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.7 p -159.06 49.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 3.3100000000000001 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.02 67.14 1.87 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.519 1.137 . . . . 1.8300000000000001 111.029 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -118.33 -3.14 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.243 -1.021 . . . . 1.9299999999999999 108.243 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.891 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER 49.13 -115.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 6.96 109.353 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 69.5 -59.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 5.46 110.263 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.715 ' SG ' HG21 ' A' ' 4' ' ' VAL . 18.1 p -62.6 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 108.254 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.615 ' HG3' HD13 ' A' ' 68' ' ' LEU . 6.1 tt0 -117.28 46.73 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 3.3300000000000001 110.355 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 7.9 t -167.85 47.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 2.27 110.455 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -52.61 -43.14 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 2.3199999999999998 109.324 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.09 157.86 0.32 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 1.29 108.309 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.59 3.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.812 . . . . 2.46 111.005 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.746 HG23 ' OG ' ' A' ' 63' ' ' SER . 3.7 m 59.26 -156.58 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 110.35 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 59' ' ' THR . 1.6 t70 84.15 -44.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 3.54 109.281 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -107.73 -74.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 2.54 111.001 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 63' ' ' SER . 0.5 OUTLIER -60.86 -146.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 2.5699999999999998 109.351 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.746 ' OG ' HG23 ' A' ' 59' ' ' THR . 36.1 m 68.2 44.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 6.0199999999999996 109.957 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.41 -60.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 6.0300000000000002 109.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.21 99.81 9.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 3.8500000000000001 110.254 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.72 143.89 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 3.29 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -145.66 -71.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 3.9100000000000001 110.996 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD13 ' HG3' ' A' ' 54' ' ' GLU . 80.9 mt -39.51 112.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 3.27 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 61.05 72.03 0.7 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.496 1.122 . . . . 3.9300000000000002 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' THR . . . -166.71 -53.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 0.778 . . . . 3.1099999999999999 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' THR . 10.1 pt-20 -42.51 -45.04 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.177 . . . . 6.0800000000000001 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . 70.8 p 37.64 65.46 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 6.1200000000000001 110.461 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 t -113.58 -29.54 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 7.9400000000000004 110.418 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -94.73 -22.58 18.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 11.65 110.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -119.04 8.25 11.55 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 11.869999999999999 109.988 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.5 ttm -35.86 -59.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 10.09 111.016 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.796 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 174.22 40.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.125 . . . . 12.66 111.042 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 77' ' ' GLY . 1.4 mt -107.6 -69.68 0.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.578 0.81 . . . . 13.74 109.288 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -84.76 -40.03 17.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 16.43 109.33 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 18.350000000000001 111.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 1.079 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.024 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.996 -0.372 . . . . 6.2699999999999996 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' SER . 78.1 m80 -129.19 -175.5 3.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 6.29 109.618 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 65' ' ' ARG . 27.7 p -38.16 147.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 2.71 109.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.853 HG22 ' HB2' ' A' ' 56' ' ' ALA . 45.7 t -104.24 -64.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 2.7799999999999998 109.241 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 25.8 mmmt 37.02 -155.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 5.7199999999999998 109.311 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.67 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.83 120.93 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 2.7799999999999998 109.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 38.2 m-85 -158.26 155.12 28.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 2.4100000000000001 111.006 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.2 p30 -89.48 40.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.96 109.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -95.24 92.14 6.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0800000000000001 110.414 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 25.1 t -149.74 146.91 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.82999999999999996 108.279 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -115.09 -43.71 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.3 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 137.49 44.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.607 1.192 . . . . 1.1399999999999999 110.973 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -113.08 178.47 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.274 -1.01 . . . . 1.21 108.274 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.3 p -103.98 -16.74 15.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 2.3300000000000001 110.387 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.83 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -59.44 142.0 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.1499999999999999 110.29 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 89.6 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.89000000000000001 108.323 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.574 HG23 ' SG ' ' A' ' 16' ' ' CYS . 13.3 t -90.34 25.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 1.0900000000000001 109.357 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.92 -53.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 3.6499999999999999 110.259 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 52' ' ' ARG . . . -76.57 82.89 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.76 109.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 12.3 t -178.9 91.16 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.45 108.304 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.95 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 2.02 110.991 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.733 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -60.79 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 1.6699999999999999 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.8 93.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 4.5700000000000003 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 61.8 t -129.47 -69.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 2.0899999999999999 109.314 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 53' ' ' CYS . 3.0 mp -72.58 92.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.329 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.56 -170.33 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 2.29 110.272 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.72 133.51 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 2.5600000000000001 111.025 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -126.08 169.88 10.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.47999999999999998 109.268 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 116.47 4.59 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.55000000000000004 111.005 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 59.2 t-105 -137.42 174.44 10.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.963 -1.125 . . . . 1.3300000000000001 107.963 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.2 t0 -141.36 61.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 1.98 109.35 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.13 -33.16 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.84999999999999998 110.989 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 169.79 16.88 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.35 -0.982 . . . . 1.0 108.35 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -25.77 68.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 3.7000000000000002 109.301 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.86 23.39 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.88 109.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.62 49.96 4.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 0.78000000000000003 110.945 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.93 119.8 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.69999999999999996 110.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.641 HG22 ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.34 140.26 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.48999999999999999 109.352 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.5 103.81 9.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.54000000000000004 109.28 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.803 ' HB2' HG11 ' A' ' 28' ' ' VAL . 48.2 m -134.16 -176.55 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.1899999999999999 110.008 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.2 m -117.78 85.97 23.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 2.2000000000000002 110.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.591 1.838 . . . . 1.76 111.049 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -96.04 78.69 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 3.3199999999999998 110.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.566 HG23 HG13 ' A' ' 24' ' ' VAL . 90.1 m -89.43 23.6 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.3600000000000001 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.12 -30.27 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 3.4399999999999999 110.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 12.9 m-20 -109.8 118.11 35.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 3.1699999999999999 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t 161.44 117.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.5900000000000001 108.302 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -106.14 46.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 4.0999999999999996 109.36 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.21 69.84 0.65 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 1.47 110.979 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.703 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -98.27 124.71 43.03 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.329 -0.989 . . . . 2.27 108.329 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -61.8 103.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 7.0499999999999998 109.313 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -158.99 -51.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 6.75 110.29 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' HB3' HD11 ' A' ' 25' ' ' LEU . 1.2 p -64.76 -89.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 2.5800000000000001 108.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' CYS . 11.4 mt-10 38.37 38.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 4.29 110.307 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 55' ' ' THR . 13.8 t -163.3 45.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 2.3700000000000001 110.389 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -62.0 -41.44 98.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 2.3500000000000001 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 168.34 175.49 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.3100000000000001 108.308 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.6 Cg_endo -74.95 -175.68 2.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.799 . . . . 3.0499999999999998 110.987 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.1 m -76.1 -8.35 56.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 3.2999999999999998 110.376 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.71 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 3.1800000000000002 109.297 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 1.6 m-85 -134.14 -59.51 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 2.4399999999999999 111.037 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 9' ' ' THR . 4.0 mm? -47.76 120.64 3.5 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.458 1.099 . . . . 3.1400000000000001 109.351 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.45 47.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 4.0899999999999999 110.009 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mm -131.53 -55.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 5.9900000000000002 109.33 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -85.2 -56.76 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 3.9700000000000002 110.333 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.3 t 52.36 66.46 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 4.6699999999999999 109.369 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.756 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -125.12 -37.87 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 7.0099999999999998 111.038 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -36.68 103.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 3.73 109.245 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.89 58.71 8.96 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 5.1699999999999999 111.022 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.03 -63.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 5.8899999999999997 109.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.55 -173.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 10.119999999999999 110.264 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 76' ' ' MET . 42.3 p -138.2 52.23 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 7.8700000000000001 110.395 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 t -71.71 -28.16 63.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 7.1600000000000001 110.378 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -19.95 24.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 12.99 110.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.555 ' OG ' ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -109.72 2.23 19.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 10.68 110.001 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -36.93 -43.61 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 11.869999999999999 111.006 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.93 29.73 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.149 . . . . 11.550000000000001 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.908 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -88.29 -33.57 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 12.65 109.248 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.773 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -136.02 -46.28 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 15.66 109.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CE2' ' OG ' ' A' ' 75' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 16.710000000000001 111.017 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.83 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.839 ' S2 ' HG11 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.458 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.033 -0.358 . . . . 6.29 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.582 ' O ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -161.53 117.15 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 6.8300000000000001 109.605 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 59.8 155.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 2.6200000000000001 110.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.8 p -141.89 40.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 2.3599999999999999 109.291 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.92 -177.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 3.3900000000000001 109.3 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.7 mp -83.8 113.92 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 1.9199999999999999 109.359 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 29.9 m-85 -152.34 158.67 43.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 2.7200000000000002 110.965 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.604 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 6.2 p-10 -86.72 42.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 2.0499999999999998 109.348 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.822 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -86.88 88.19 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.89000000000000001 110.443 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 t -153.6 125.96 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.66000000000000003 108.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.953 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -14.97 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.9199999999999999 109.352 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.27 40.82 0.78 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.5800000000000001 111.042 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -112.35 170.33 8.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.312 -0.995 . . . . 1.26 108.312 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 t -114.84 55.91 0.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 3.02 110.365 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.881 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.3 pt20 -133.63 143.0 48.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 2.4100000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 90.64 -36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.02 108.346 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -91.47 30.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 1.1200000000000001 109.255 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.07 -52.8 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 3.75 110.349 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB1' ' HG2' ' A' ' 52' ' ' ARG . . . -80.66 92.14 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 1.8700000000000001 109.25 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.1 t 179.34 95.91 0.17 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.2 108.278 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' LEU . 18.4 Cg_endo -74.98 -39.23 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.452 1.764 . . . . 1.77 111.01 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.983 HD23 ' S3 ' ' A' ' 82' ' ' SF4 . 4.0 mm? -53.07 -101.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 2.6400000000000001 109.338 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.6 p30 177.85 38.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 6.4000000000000004 109.296 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.775 ' O ' HG12 ' A' ' 24' ' ' VAL . 2.5 t -113.62 75.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 3.73 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER 160.38 67.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.3400000000000001 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' SER . 2.0 mt-10 -119.7 -168.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 2.3500000000000001 110.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.429 ' N ' ' SD ' ' A' ' 27' ' ' MET . 1.9 mpt? -86.61 139.78 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 6.2999999999999998 110.989 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.4 m -133.03 169.88 12.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.62 109.287 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 115.47 4.3 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.431 1.753 . . . . 0.80000000000000004 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.604 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 36.1 t-105 -123.34 -118.7 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 1.53 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 168.65 -51.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 2.52 109.345 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.97 -12.85 12.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.81999999999999995 110.951 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.09 153.62 26.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.327 -0.99 . . . . 1.3200000000000001 108.327 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -24.75 61.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 5.9000000000000004 109.269 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.57 16.67 17.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.78000000000000003 109.269 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.88 36.25 55.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 111.011 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -143.51 122.5 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.62 110.308 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.463 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -103.05 146.21 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.62 109.317 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 107.58 8.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.51000000000000001 109.31 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG11 ' A' ' 28' ' ' VAL . 16.5 m -146.24 177.18 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.3 110.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.484 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.4 p -115.06 96.07 44.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 1.79 110.036 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 1.6299999999999999 110.959 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -94.09 80.79 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 3.2000000000000002 110.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.765 HG23 HG21 ' A' ' 24' ' ' VAL . 15.2 m -89.39 30.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 1.22 110.388 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.93 -19.73 65.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 3.4700000000000002 110.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 5.4 m-20 -116.51 112.15 20.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 2.8399999999999999 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 0.9 OUTLIER 157.59 114.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 1.3600000000000001 108.333 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 48' ' ' VAL . 14.3 p -108.95 50.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 3.1400000000000001 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 45.81 68.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 1.3300000000000001 111.003 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.641 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -90.01 129.78 36.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.287 -1.005 . . . . 1.8799999999999999 108.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.26 95.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 7.8099999999999996 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.868 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -179.99 -171.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 6.04 110.345 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 16.6 p 44.44 46.19 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 2.0899999999999999 108.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.33 53.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 4.2300000000000004 110.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 55' ' ' THR . 11.9 t -149.1 45.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.25 110.391 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 62' ' ' LEU . . . -47.82 157.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 3.5 109.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -41.56 150.29 0.35 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 1.28 108.333 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.69 4.34 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 2.7000000000000002 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.1 m 65.96 -161.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 3.0 110.365 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 59' ' ' THR . 1.5 t70 84.59 -46.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 3.4500000000000002 109.352 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE1' ' OD2' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -113.41 -57.93 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.477 1.111 . . . . 2.7200000000000002 111.027 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' HB1' ' A' ' 56' ' ' ALA . 0.1 OUTLIER -55.7 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 2.9199999999999999 109.399 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 62' ' ' LEU . 4.1 t 80.53 47.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.112 . . . . 4.75 109.987 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -124.26 -41.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 6.2699999999999996 109.275 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -139.84 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 4.4699999999999998 110.291 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 10.9 p -115.62 144.94 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 3.6600000000000001 109.255 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 2.2 m-85 -155.2 -44.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 3.6099999999999999 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.3 -57.04 11.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 3.5299999999999998 109.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.46 69.71 0.22 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 4.1100000000000003 111.045 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.15 -60.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 3.27 109.235 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 72' ' ' THR . 1.3 mt-10 -72.19 -56.69 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 6.5300000000000002 110.32 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 71' ' ' GLU . 11.2 t 41.76 37.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.483 1.115 . . . . 7.1100000000000003 110.485 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 t -96.71 -35.78 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 8.9900000000000002 110.401 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -76.66 -11.23 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 12.779999999999999 110.283 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.2 OUTLIER -134.83 26.08 3.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 14.119999999999999 109.991 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' SER . 4.4 mtm -34.51 -38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.59 1.181 . . . . 12.49 111.014 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.03 35.0 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 17.309999999999999 111.005 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.907 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -139.49 -49.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 0.807 . . . . 18.460000000000001 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.907 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -44.68 -32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 19.43 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 1.1 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 22.27 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.953 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.983 ' S3 ' HD23 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.027 -0.36 . . . . 6.4800000000000004 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 178.2 177.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 5.5599999999999996 109.545 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 14.9 p 60.26 153.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 2.1000000000000001 110.013 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.795 HG21 HD21 ' A' ' 25' ' ' LEU . 8.6 p -146.12 51.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 2.5299999999999998 109.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.6 mmmt -54.12 -172.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 2.8900000000000001 109.219 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 6.2 mm -94.94 62.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 2.0499999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.73 158.58 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 2.2400000000000002 110.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.61 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.75 28.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.389 1.055 . . . . 2.71 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.889 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 3.7 t -71.0 89.06 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.82999999999999996 110.395 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.546 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 1.5 t -153.76 130.21 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.66000000000000003 108.268 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.76 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.79 -8.34 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.8100000000000001 109.306 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.82 2.26 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 1.02 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.805 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -108.85 165.85 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 1.3600000000000001 108.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 14' ' ' THR . 8.8 t -131.19 69.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 110.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.759 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -108.85 -46.06 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 2.8500000000000001 110.258 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' HD13 ' A' ' 25' ' ' LEU . 10.5 p -83.42 14.23 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.85999999999999999 108.288 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 t -119.41 11.9 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 1.1799999999999999 109.273 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.78 -49.1 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 2.6299999999999999 110.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -73.88 78.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 1.78 109.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.605 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 15.5 t -165.84 106.07 0.73 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 1.3500000000000001 108.364 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -38.06 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 1.6299999999999999 110.965 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.877 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.9 mp -73.21 -97.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 2.0600000000000001 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 161.45 80.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 3.1600000000000001 109.319 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.009 HG21 ' HB2' ' A' ' 47' ' ' CYS . 95.7 t -120.06 -65.48 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 1.75 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.795 HD21 HG21 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -50.49 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.1000000000000001 109.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 36.7 mm-40 -123.03 -172.08 2.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 2.9900000000000002 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.5 131.26 35.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 2.6499999999999999 110.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG22 HG22 ' A' ' 38' ' ' ILE . 1.3 m -121.4 165.37 19.71 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.64000000000000001 109.268 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.49 4.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.76000000000000001 111.029 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.61 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 34.7 t-105 -122.06 -116.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 1.79 107.967 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 168.48 -51.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.6000000000000001 109.263 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.53 -8.81 21.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.57 1.169 . . . . 0.81999999999999995 110.996 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 1.1 m -81.67 153.65 26.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.289 -1.004 . . . . 1.77 108.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -26.6 51.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 3.1200000000000001 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 26.9 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.78000000000000003 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.3 33.95 12.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.80000000000000004 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -142.89 119.94 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.60999999999999999 110.299 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -98.77 146.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.68999999999999995 109.335 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.39 111.7 13.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.64000000000000001 109.348 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.3 m -164.9 -175.64 3.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.29 109.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 70.2 m -74.89 129.12 83.96 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.97 109.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.518 1.799 . . . . 2.1899999999999999 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.0 mtt180 -149.59 15.86 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 4.1900000000000004 110.272 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 44' ' ' THR . 63.3 m 41.31 24.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.02 110.422 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.5 pt-20 -52.0 -32.7 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 3.48 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -102.68 -165.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 3.1400000000000001 109.294 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.009 ' HB2' HG21 ' A' ' 24' ' ' VAL . 31.5 t 76.66 153.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 1.77 108.301 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.2 p -155.99 30.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 3.1200000000000001 109.268 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.4 75.09 1.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 1.54 111.044 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.898 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.39 113.62 17.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.306 -0.998 . . . . 2.2999999999999998 108.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -68.34 94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 6.4199999999999999 109.314 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 14.6 mmt180 -141.7 -54.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 5.0899999999999999 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 25' ' ' LEU . 7.5 p -71.07 64.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 2.02 108.347 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 52' ' ' ARG . 6.9 tt0 -86.26 43.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.1600000000000001 110.334 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 63.3 p -128.45 -80.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 2.7400000000000002 110.445 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.765 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 73.14 -66.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 2.1200000000000001 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 170.66 175.91 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 108.311 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.94 2.52 6.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 2.3799999999999999 111.011 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 2.3 m 83.71 -9.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 3.7200000000000002 110.392 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.52 -27.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 3.54 109.279 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 36.7 m-85 -110.33 -85.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 3.1400000000000001 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 pp -40.16 124.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.9500000000000002 109.247 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.535 ' O ' ' C ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -86.11 66.89 9.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 3.6299999999999999 109.987 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 63' ' ' SER . 1.1 pt 29.09 86.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 6.9900000000000002 109.356 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -81.59 -33.06 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 4.4400000000000004 110.363 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.8 t 65.65 103.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.566 1.166 . . . . 3.1299999999999999 109.302 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -148.22 -51.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 3.7000000000000002 110.98 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 3' ' ' SER . 47.3 mt -50.56 113.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 3.4700000000000002 109.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.08 57.49 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 4.1600000000000001 111.0 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.53 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 3.1400000000000001 109.282 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 73' ' ' THR . 0.9 OUTLIER -122.21 -78.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 8.2300000000000004 110.289 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p 39.79 43.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 7.6100000000000003 110.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.41 HG22 ' HG2' ' A' ' 71' ' ' GLU . 3.6 t -122.38 -37.96 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 9.0999999999999996 110.395 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -26.25 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 12.140000000000001 110.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.57 13.82 12.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 12.949999999999999 110.053 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -36.68 -57.5 0.78 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 1.075 . . . . 12.85 111.037 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.617 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 122.59 29.66 1.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.436 1.085 . . . . 15.68 110.935 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 ' C ' ' A' ' 77' ' ' GLY . 8.2 mt -113.92 -64.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 15.84 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.55 -33.78 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 16.210000000000001 109.318 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.516 ' CD2' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.094 . . . . 19.309999999999999 111.04 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.889 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.898 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.997 -0.372 . . . . 6.7599999999999998 109.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.6 p80 -148.51 168.68 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 5.9199999999999999 109.575 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.682 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.8 t 56.8 163.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.395 1.059 . . . . 2.6299999999999999 110.033 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.92 49.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 2.8500000000000001 109.308 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -72.64 146.38 46.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 3.5499999999999998 109.296 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 mp -56.67 120.25 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 2.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 13.5 m-85 -165.05 166.19 19.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 2.3900000000000001 111.069 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.734 ' HA ' HG21 ' A' ' 38' ' ' ILE . 3.1 p-10 -87.71 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 109.303 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.894 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.6 OUTLIER -87.0 91.48 8.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.3100000000000001 110.404 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.568 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 3.5 t -160.19 124.91 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.66000000000000003 108.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.984 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -111.14 -20.66 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 2.1899999999999999 109.344 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 13' ' ' CYS . . . 145.41 -35.3 1.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.118 . . . . 1.5600000000000001 110.969 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.665 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -41.49 156.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.262 -1.014 . . . . 1.4199999999999999 108.262 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -111.36 45.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 2.52 110.424 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.751 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.1 pt20 -116.54 150.14 38.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 2.3100000000000001 110.221 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.84 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.76000000000000001 108.328 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 39' ' ' ALA . 3.6 t -85.8 -6.48 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0700000000000001 109.356 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.29 -57.01 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.75 110.339 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.94 83.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.9099999999999999 109.238 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' SG ' HD12 ' A' ' 25' ' ' LEU . 49.0 t -179.39 92.32 0.2 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 1.21 108.313 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -15.35 20.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 1.55 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.837 ' CD1' ' S3 ' ' A' ' 82' ' ' SF4 . 4.4 mt -83.55 3.7 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 2.6600000000000001 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.88 67.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 4.3700000000000001 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 47' ' ' CYS . 47.7 t -103.38 -57.3 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.144 . . . . 1.79 109.281 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 16' ' ' CYS . 3.9 mp -64.66 108.73 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.85999999999999999 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -119.35 -171.5 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 3.6200000000000001 110.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -93.69 133.59 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 2.8900000000000001 111.05 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.2 m -126.08 168.05 15.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.58999999999999997 109.236 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.96 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.81000000000000005 110.972 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.618 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.8 t-105 -128.47 173.85 9.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.2 108.009 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 7.4 t0 -139.41 60.61 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.8999999999999999 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -32.96 0.03 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.094 . . . . 0.71999999999999997 111.029 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.76 168.32 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.33 -0.989 . . . . 1.2 108.33 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -22.92 66.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 4.1500000000000004 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 20.84 16.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.67000000000000004 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.93 49.94 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.58999999999999997 111.044 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.8 121.23 6.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.741 . . . . 0.56999999999999995 110.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -103.55 145.52 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.80000000000000004 109.349 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -79.41 106.95 11.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.46999999999999997 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.459 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -130.05 -167.08 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 1.73 110.031 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 45.1 t -119.51 85.64 32.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 2.02 109.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 -63.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.49 1.784 . . . . 1.53 110.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 83.8 mtt-85 -86.47 82.09 8.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 6.54 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' ASP . 84.5 m -77.8 7.52 5.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 1.28 110.433 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.7 -26.37 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 2.79 110.304 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -101.52 -162.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 3.5299999999999998 109.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.24 139.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.3200000000000001 108.247 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.45 -47.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 3.0600000000000001 109.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.9 60.39 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 1.9299999999999999 110.989 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.767 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -107.47 121.27 44.28 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.279 -1.008 . . . . 2.0800000000000001 108.279 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -78.61 94.24 4.99 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.511 1.132 . . . . 6.7800000000000002 109.287 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -141.54 -50.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 6.1600000000000001 110.306 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.984 ' O ' HG23 ' A' ' 55' ' ' THR . 4.1 p -61.67 -75.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 2.75 108.251 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 41.04 32.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.3799999999999999 110.25 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.984 HG23 ' O ' ' A' ' 53' ' ' CYS . 32.4 p -132.43 -85.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 2.9199999999999999 110.418 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.813 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 79.6 -54.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 2.3300000000000001 109.25 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.63 144.59 0.21 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 1.3 108.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' C ' HG23 ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.0 52.7 3.13 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.797 . . . . 2.8799999999999999 110.971 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.7 p 60.32 131.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 4.1100000000000003 110.387 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.9 OUTLIER 157.64 -25.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 2.96 109.311 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 26.9 m-85 -133.63 -73.66 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 2.8900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.38 131.71 6.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 2.52 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 p 167.84 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 3.4199999999999999 109.944 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.18 -74.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 6.1900000000000004 109.313 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 151.87 19.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 4.1900000000000004 110.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.56 153.72 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 3.3999999999999999 109.303 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . 2.7 m-85 -143.75 -55.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 4.2599999999999998 110.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD23 ' H ' ' A' ' 3' ' ' SER . 1.4 mm? -39.91 -55.81 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 3.1000000000000001 109.242 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 69.39 0.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 4.1100000000000003 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 73' ' ' THR . . . -131.58 -81.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 4.1699999999999999 109.323 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' THR . 3.0 tp10 51.55 -101.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 11.220000000000001 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 t -70.15 -4.99 24.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 8.3200000000000003 110.385 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -60.37 -54.06 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 7.2400000000000002 110.362 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -58.54 -21.59 52.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 13.41 110.252 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.6 OUTLIER -111.15 14.72 21.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 9.4399999999999995 110.008 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.451 ' CB ' ' HB2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER 65.67 -70.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 13.119999999999999 111.001 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' SER . . . -155.1 -43.24 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 13.49 110.978 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -116.45 -39.05 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 13.359999999999999 109.318 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB3' HD13 ' A' ' 78' ' ' LEU . . . -175.32 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 10.800000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.451 ' HB2' ' CB ' ' A' ' 76' ' ' MET . 18.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 18.420000000000002 110.938 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.984 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.837 ' S3 ' ' CD1' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 2' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.031 -0.359 . . . . 6.5499999999999998 110.031 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.624 ' HD2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -178.6 135.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 6.9699999999999998 109.617 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' TYR . 28.3 t 58.61 164.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 2.2999999999999998 110.018 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 56' ' ' ALA . 55.3 t -151.33 -67.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 2.8799999999999999 109.36 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 1.2 ttmt 41.3 -162.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 3.3900000000000001 109.266 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 5.3 mm -104.93 114.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 2.1000000000000001 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 24.6 m-85 -145.19 155.4 43.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 3.1899999999999999 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.639 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.5 p-10 -86.97 42.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 2.2799999999999998 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -95.95 95.09 7.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.89000000000000001 110.364 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' CB ' HG13 ' A' ' 38' ' ' ILE . 8.1 t -154.72 134.41 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.76000000000000001 108.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 12' ' ' GLY . 2.6 pp -116.79 -34.78 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.3700000000000001 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 131.57 42.42 0.19 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.5 1.125 . . . . 1.1899999999999999 110.997 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.49 -178.95 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.3 -1.0 . . . . 1.3799999999999999 108.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.0 p -120.17 72.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.606 1.191 . . . . 3.0699999999999998 110.423 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.625 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -161.34 147.36 14.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 2.0899999999999999 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.64 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 89.85 -44.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.93999999999999995 108.244 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.56 HG23 ' SG ' ' A' ' 16' ' ' CYS . 20.2 t -83.61 -4.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.1399999999999999 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -124.44 -49.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.1000000000000001 110.271 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' ARG . . . -39.72 -47.69 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.456 1.098 . . . . 2.25 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.925 ' SG ' HG12 ' A' ' 24' ' ' VAL . 47.5 t -41.74 125.98 2.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.8899999999999999 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.725 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.5 Cg_endo -74.95 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 2.3999999999999999 111.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.898 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.3 mp -48.59 -96.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 3.1400000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 174.12 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 3.6200000000000001 109.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.925 HG12 ' SG ' ' A' ' 20' ' ' CYS . 1.2 p -111.65 -169.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 3.2999999999999998 109.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' VAL . 1.0 OUTLIER 61.86 85.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.1599999999999999 109.314 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -115.38 -165.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 2.1499999999999999 110.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 133.03 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 2.8199999999999998 110.964 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.18 172.53 5.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.60999999999999999 109.264 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.95 115.52 4.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 1.02 110.993 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -139.58 173.47 11.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.96999999999999997 108.006 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.3 t70 -140.56 61.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.27 -32.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.493 1.12 . . . . 0.72999999999999998 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 166.17 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.291 -1.003 . . . . 0.92000000000000004 108.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -23.85 66.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 3.9500000000000002 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 23.25 12.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.93000000000000005 109.278 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.58 51.97 7.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.77000000000000002 111.0 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -153.35 122.26 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.81000000000000005 110.291 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.41 143.48 12.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.47999999999999998 109.283 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.26 108.31 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.53000000000000003 109.282 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -153.82 176.57 11.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.035 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 6' ' ' ILE . 4.3 m -83.78 123.83 75.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.74 109.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' C ' ' HG2' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -74.95 -55.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 1.8200000000000001 111.035 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 45' ' ' GLU . 1.6 mtp180 -138.9 9.88 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 4.6299999999999999 110.325 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.3 m 45.48 21.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 1.7 110.42 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.4 pt-20 -59.21 -29.67 67.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 3.5299999999999998 110.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.73 53.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 4.8099999999999996 109.293 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -164.73 132.85 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 2.1499999999999999 108.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.5 m -120.7 46.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 3.9100000000000001 109.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.08 87.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 2.3599999999999999 111.037 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -124.79 145.58 49.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 2.6299999999999999 108.347 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -63.35 95.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 6.3600000000000003 109.297 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.85 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -174.62 -163.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 4.5599999999999996 110.369 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.7 p 43.17 44.44 4.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 2.3199999999999998 108.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -84.1 46.59 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 4.6200000000000001 110.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 56' ' ' ALA . 35.9 p -127.7 -77.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 2.8799999999999999 110.441 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.735 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . 75.24 -57.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 2.46 109.285 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 179.58 158.66 0.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.55 108.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.405 1.739 . . . . 2.8300000000000001 111.069 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 61.3 p -144.04 -155.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 6.3399999999999999 110.473 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' THR . 13.6 t0 84.37 -48.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 5.1200000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 m-85 -120.04 -98.45 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.5099999999999998 111.069 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.624 HD22 ' HD2' ' A' ' 2' ' ' HIS . 14.0 mt 31.72 67.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 4.6299999999999999 109.258 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.31 60.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 4.46 110.012 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 65' ' ' ARG . 14.5 mm -137.98 -94.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.406 1.066 . . . . 5.8399999999999999 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.4 mpt_? -103.14 169.13 8.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 4.8399999999999999 110.245 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 66' ' ' VAL . 35.9 m -112.18 95.08 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 3.7000000000000002 109.287 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -89.5 -73.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 4.5700000000000003 110.937 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -52.6 121.89 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 109.281 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.69 54.19 6.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 3.8300000000000001 111.052 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.28 -45.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 3.1000000000000001 109.278 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -41.41 -65.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 5.9400000000000004 110.354 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.5 p -122.14 36.93 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 5.96 110.401 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.583 HG22 ' HG3' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -104.18 -53.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 8.8399999999999999 110.461 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.583 ' HG3' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -114.26 -22.38 9.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 12.66 110.301 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.2 t -99.69 14.77 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 8.5600000000000005 110.022 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -37.02 -47.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 9.3300000000000001 111.063 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.602 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 176.92 48.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 12.5 110.979 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -121.89 -58.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 15.539999999999999 109.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.001 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -84.5 -31.96 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 13.300000000000001 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.602 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 15.27 111.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.675 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.581 ' OG ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.97 -0.381 . . . . 6.3600000000000003 109.97 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -99.94 -173.61 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 6.3399999999999999 109.614 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 2' ' ' HIS . 2.7 p 84.42 141.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 2.2400000000000002 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' LYS . 2.2 t -141.77 16.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 3.2000000000000002 109.303 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -39.5 140.05 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 3.7000000000000002 109.362 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.4 mp -41.9 108.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 2.73 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 8.8 m-85 -148.34 162.1 40.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 2.5099999999999998 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.661 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.3 p-10 -89.02 42.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.385 1.053 . . . . 2.3199999999999998 109.26 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.67 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 7.5 t -90.83 91.62 8.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.02 110.406 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.3 t -161.42 167.66 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.1899999999999999 108.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.862 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -153.39 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 1.25 109.26 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 140.12 43.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.115 . . . . 1.5700000000000001 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 -179.44 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.306 -0.998 . . . . 1.55 108.306 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 ' O ' ' OG1' ' A' ' 14' ' ' THR . 11.0 p -118.23 83.17 1.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 3.6699999999999999 110.395 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.6 pt20 -176.22 146.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 2.1600000000000001 110.377 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.06 -41.25 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.512 1.132 . . . . 0.75 108.344 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' SG ' ' A' ' 16' ' ' CYS . 21.5 t -90.03 9.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.96999999999999997 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.94 -49.19 2.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 2.6600000000000001 110.372 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.53 83.52 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.97 109.225 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 11.0 t -174.1 95.46 0.32 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 1.1499999999999999 108.314 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -36.29 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 1.52 111.063 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.0 mp -66.8 -14.23 62.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 2.1400000000000001 109.35 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.73 82.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.127 . . . . 3.29 109.262 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 47' ' ' CYS . 51.1 t -121.61 -58.48 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.76 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 16' ' ' CYS . 4.4 mp -54.67 96.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.91000000000000003 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 3.7 mm-40 -117.31 -170.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 2.0800000000000001 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.89 136.3 33.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 2.6400000000000001 111.006 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.64 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.86 173.25 4.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.58999999999999997 109.305 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 116.51 4.6 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.541 1.811 . . . . 0.75 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.661 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 57.4 t-105 -135.85 173.96 11.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 1.0900000000000001 107.968 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.5 t70 -138.68 59.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 2.1099999999999999 109.354 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.71 -34.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.87 110.977 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 165.96 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 1.0800000000000001 108.317 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -22.62 66.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 3.54 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.92 19.51 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.73999999999999999 109.337 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.54 52.54 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.60999999999999999 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.68 119.98 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.63 110.318 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.64 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -98.02 137.77 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.51000000000000001 109.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -77.02 108.02 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.53000000000000003 109.25 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB2' HG11 ' A' ' 28' ' ' VAL . 3.6 m -137.45 -175.74 4.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.91000000000000003 109.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.1 m -116.63 88.83 26.02 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 2.1800000000000002 110.071 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.531 1.806 . . . . 1.77 111.039 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -93.82 79.46 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 4.2800000000000002 110.338 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 HG11 ' A' ' 24' ' ' VAL . 60.6 m -88.89 30.2 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 1.3400000000000001 110.423 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.51 -22.96 67.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 3.1600000000000001 110.295 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 2.7 m-20 -118.19 100.53 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 3.0699999999999998 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER 166.64 119.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.72 108.278 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 48' ' ' VAL . 3.9 p -127.14 51.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 3.4199999999999999 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 50.9 81.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 1.8300000000000001 110.949 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.657 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 1.8 p -94.0 19.04 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.32 -0.993 . . . . 2.9900000000000002 108.32 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.79 69.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 5.9299999999999997 109.236 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.769 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -132.45 -58.65 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 5.4100000000000001 110.274 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' A' ' 52' ' ' ARG . 1.2 p -55.61 -103.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 2.48 108.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' THR . 22.7 tt0 79.01 -48.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 3.0899999999999999 110.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 15' ' ' GLN . 17.3 p -36.61 -60.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 2.8599999999999999 110.344 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 62' ' ' LEU . . . 43.78 45.21 6.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 3.23 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.612 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 65.58 149.29 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.4399999999999999 108.277 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 50.11 2.43 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 2.7799999999999998 110.995 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m 71.96 -2.25 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 3.0 110.426 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.619 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -42.29 -30.42 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 4.96 109.225 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' N ' ' C ' ' A' ' 59' ' ' THR . 5.4 m-85 -141.99 -80.44 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 2.3900000000000001 110.968 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD13 ' OG ' ' A' ' 1' ' ' SER . 5.5 mt 40.64 87.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 3.3999999999999999 109.288 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 64' ' ' ILE . 10.0 m -138.1 123.3 19.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 4.6699999999999999 109.994 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.733 HD12 ' HB3' ' A' ' 63' ' ' SER . 4.6 mp 68.01 147.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 6.1600000000000001 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HG2' HG22 ' A' ' 64' ' ' ILE . 19.2 mmt180 75.67 125.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 4.0999999999999996 110.29 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 1.4 m -139.39 80.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 3.5299999999999998 109.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -144.3 129.34 18.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.093 . . . . 4.7699999999999996 111.048 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -27.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 6.1399999999999997 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 67' ' ' TYR . . . 148.76 -18.08 1.25 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 10.75 111.068 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -168.78 -66.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 0.807 . . . . 9.8100000000000005 109.318 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER 55.67 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 6.0499999999999998 110.275 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.3 p -138.24 44.67 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 7.8799999999999999 110.448 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 m -116.5 -49.97 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 7.29 110.38 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.547 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -112.14 -21.42 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 10.41 110.322 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 20.11 18.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 8.4700000000000006 110.014 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -49.45 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 9.0700000000000003 110.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.675 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 111.83 30.89 2.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 11.51 111.041 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.757 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.2 mt -98.33 -51.82 3.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.574 0.808 . . . . 12.02 109.348 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.72 -55.29 0.83 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 12.84 109.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 74' ' ' ARG . 58.2 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 14.43 110.998 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.862 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.769 ' S1 ' ' HB2' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.9 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.004 -0.369 . . . . 6.1799999999999997 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.655 ' CE1' HD11 ' A' ' 64' ' ' ILE . 11.1 p-80 -129.29 -172.38 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 5.4400000000000004 109.66 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' C ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 60.78 122.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 2.6800000000000002 110.023 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 25' ' ' LEU . 74.3 t -135.77 58.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 2.6299999999999999 109.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 67' ' ' TYR . 1.9 mtpt -65.25 178.34 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 3.0299999999999998 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 6' ' ' ILE . 3.6 mp -84.09 52.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 2.21 109.293 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -94.72 158.4 15.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 2.0899999999999999 110.969 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.637 ' CG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 p-10 -87.46 40.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3300000000000001 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 9' ' ' THR . 8.4 t -79.74 86.66 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 110.429 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HD11 ' A' ' 38' ' ' ILE . 1.8 t -149.87 126.38 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.65000000000000002 108.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 11' ' ' ILE . 2.2 pp -105.03 -22.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 1.3600000000000001 109.339 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.07 38.04 0.72 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.478 1.112 . . . . 1.25 110.911 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -105.39 168.96 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 1.1499999999999999 108.268 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' THR . 7.6 t -112.98 53.36 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 2.7000000000000002 110.389 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.777 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.9 pt20 -131.39 148.79 52.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 2.1499999999999999 110.298 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 88.45 -47.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 108.234 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG12 ' HB1' ' A' ' 39' ' ' ALA . 20.6 m -64.9 -15.64 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.15 . . . . 2.5 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -99.12 -63.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 2.2799999999999998 110.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.81 83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.433 1.083 . . . . 1.9299999999999999 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.3 t -177.45 93.95 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0700000000000001 108.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.72 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 1.6499999999999999 111.084 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.864 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mt -82.54 5.95 19.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 2.6899999999999999 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' LEU . 8.4 m-20 39.19 83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 3.5299999999999998 109.302 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 47' ' ' CYS . 97.1 t -122.96 -53.97 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.6799999999999999 109.286 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD21 HG11 ' A' ' 4' ' ' VAL . 1.7 mp -66.89 88.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.92000000000000004 109.339 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' O ' HG13 ' A' ' 28' ' ' VAL . 5.3 mt-10 -117.38 165.71 13.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 2.6600000000000001 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -58.08 133.25 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 6.2000000000000002 110.994 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.021 HG22 ' O ' ' A' ' 38' ' ' ILE . 3.1 m -126.82 165.37 29.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.80000000000000004 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.94 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 1.05 111.03 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CZ2' ' CG ' ' A' ' 8' ' ' ASP . 40.0 t-105 -122.39 -119.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 1.6100000000000001 108.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 168.56 -47.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.6699999999999999 109.309 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.14 -13.13 19.15 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.143 . . . . 1.02 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.49 157.96 23.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.36 -0.978 . . . . 1.24 108.36 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -26.79 67.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 5.9500000000000002 109.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.75 12.11 21.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.72999999999999998 109.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 57.92 31.49 64.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.65000000000000002 110.974 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -138.66 119.36 14.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.73999999999999999 110.371 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.021 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -104.39 139.52 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.68000000000000005 109.308 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 17' ' ' VAL . . . -75.49 122.42 23.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.52000000000000002 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 m -177.01 175.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.3500000000000001 109.95 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 m -65.2 120.53 68.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.76 110.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 2.1299999999999999 110.987 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 45' ' ' GLU . 77.8 mtt85 -142.7 12.74 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 4.6500000000000004 110.276 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 44' ' ' THR . 88.4 m 43.34 23.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.3600000000000001 110.466 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.1 pt-20 -52.74 -33.04 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 3.8500000000000001 110.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.727 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -102.02 -162.83 0.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 3.6699999999999999 109.277 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.914 ' HB2' HG21 ' A' ' 24' ' ' VAL . 36.3 t 75.92 134.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.3200000000000001 108.21 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 48' ' ' VAL . 8.9 p -147.36 43.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 2.9700000000000002 109.226 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 75.68 0.6 Allowed Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.472 1.108 . . . . 1.5900000000000001 110.959 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.885 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -127.79 117.06 21.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.296 -1.001 . . . . 2.4399999999999999 108.296 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -74.14 74.55 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 7.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 5.3 tpt180 -142.83 46.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 5.1200000000000001 110.334 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 20.1 p -173.71 60.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 2.0299999999999998 108.268 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.73 24.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 3.4399999999999999 110.271 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' CYS . 7.3 p -117.43 48.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 2.2599999999999998 110.429 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.34 60.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 3.23 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 60.16 175.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 1.6000000000000001 108.308 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.3 Cg_endo -74.99 -0.97 10.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.773 . . . . 2.29 110.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 1.6 m 85.19 -17.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 3.5800000000000001 110.345 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -26.83 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 3.8700000000000001 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -95.82 -73.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 3.6499999999999999 110.985 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -81.29 131.77 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 3.27 109.278 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.8999999999999999 109.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.655 HD11 ' CE1' ' A' ' 2' ' ' HIS . 0.8 OUTLIER -174.69 139.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 8.3399999999999999 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.23 -178.44 5.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 3.7799999999999998 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 p -123.0 79.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.433 1.083 . . . . 5.6699999999999999 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 5' ' ' LYS . 3.6 m-85 -122.11 -56.72 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 4.3099999999999996 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' GLY . 2.0 mm? -39.62 95.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 3.29 109.349 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' TYR . . . 33.35 74.36 0.07 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.54 1.15 . . . . 5.3700000000000001 110.971 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.81 -61.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 4.0199999999999996 109.256 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' THR . 2.1 mt-10 -43.02 -70.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 7.5300000000000002 110.238 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' GLU . 64.9 p 37.09 61.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 6.9400000000000004 110.457 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -154.64 -44.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.220000000000001 110.383 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -95.04 -24.46 16.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.47 1.107 . . . . 13.630000000000001 110.341 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.506 ' OG ' ' CB ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -113.44 -6.69 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 11.869999999999999 109.958 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 75' ' ' SER . 0.4 OUTLIER 35.47 -94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 11.19 111.011 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -139.42 -41.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 13.59 111.042 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.15 -41.31 4.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 17.16 109.332 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.61 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -35.82 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 15.74 109.314 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.506 ' CB ' ' OG ' ' A' ' 75' ' ' SER . 2.8 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 18.710000000000001 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.777 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.885 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 59' ' ' THR . 37.4 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.066 -0.346 . . . . 7.0999999999999996 110.066 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.579 ' O ' HD22 ' A' ' 62' ' ' LEU . 18.7 m170 50.28 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 6.0199999999999996 109.554 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 2.9 t 64.32 166.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 2.46 110.011 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.0 p -171.71 40.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 2.5899999999999999 109.304 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -53.94 -173.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 3.0099999999999998 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 41' ' ' SER . 4.3 mm -85.71 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 2.1400000000000001 109.348 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -95.95 161.68 13.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 2.6299999999999999 111.021 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -86.38 44.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.845 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.6 t -85.23 94.32 8.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.4 t -162.12 157.59 23.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 1.1100000000000001 108.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.868 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -127.97 -40.88 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 1.49 109.339 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.99 39.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 1.28 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -120.06 179.39 4.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.347 -0.983 . . . . 1.3400000000000001 108.347 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 79.3 p -136.21 80.24 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 3.1400000000000001 110.371 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.934 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -124.78 -46.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 2.75 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.803 ' O ' HD13 ' A' ' 25' ' ' LEU . 18.0 p -82.1 11.07 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 1.0600000000000001 108.278 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 17' ' ' VAL . 24.6 t -115.9 16.25 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.3300000000000001 109.336 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.33 -48.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 3.6099999999999999 110.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 77.07 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 1.8400000000000001 109.284 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.555 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.4 t -178.74 112.28 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.1299999999999999 108.309 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HG2' HD23 ' A' ' 22' ' ' LEU . 18.2 Cg_endo -75.0 -73.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 1.6699999999999999 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.97 HD11 ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -43.23 -85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 2.71 109.342 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER 159.79 101.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 4.6699999999999999 109.228 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 54.1 t -125.59 -69.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 1.6399999999999999 109.279 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt -57.47 101.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.26 109.368 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.6 mm-40 -125.34 -170.11 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.21 110.306 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.71 135.91 34.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.9500000000000002 111.082 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.636 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -126.25 172.6 6.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.44 109.305 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.97 112.84 3.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.43 1.753 . . . . 0.59999999999999998 111.011 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.654 ' CD1' HD12 ' A' ' 38' ' ' ILE . 61.5 t-105 -135.5 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.977 -1.119 . . . . 1.0800000000000001 107.977 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.4 t70 -142.32 60.7 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.8400000000000001 109.306 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.29 -30.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.519 1.137 . . . . 0.64000000000000001 110.953 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.05 175.3 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.264 -1.013 . . . . 0.89000000000000001 108.264 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.41 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 3.7799999999999998 109.33 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.05 28.59 8.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.71999999999999997 109.256 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.75 51.19 3.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.56000000000000005 111.033 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -149.8 121.43 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 0.695 . . . . 0.69999999999999996 110.287 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HD12 ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -98.23 132.03 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.73999999999999999 109.263 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -68.43 100.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.55000000000000004 109.366 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HB2' HG11 ' A' ' 28' ' ' VAL . 4.3 m -133.84 -174.66 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.93999999999999995 110.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.8 p -119.29 86.26 32.68 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 2.1800000000000002 110.009 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -64.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 1.6599999999999999 110.997 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -91.18 81.14 5.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 3.3100000000000001 110.306 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 44' ' ' THR . 95.3 m -86.68 18.39 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.1499999999999999 110.381 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.42 -29.15 14.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 2.6400000000000001 110.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 4.4 m-20 -112.8 107.59 16.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 2.96 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 2.1 t 164.18 91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.3200000000000001 108.325 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 48' ' ' VAL . 11.5 p -82.46 52.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 3.2200000000000002 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 38.88 73.54 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 1.5800000000000001 110.967 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -93.67 17.83 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.271 -1.011 . . . . 2.1800000000000002 108.271 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 2.6 mptt 66.99 -108.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 7.8799999999999999 109.343 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER 38.27 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 5.9500000000000002 110.252 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ARG . 7.6 p 39.27 55.2 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 2.2400000000000002 108.288 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.29 41.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 4.3799999999999999 110.297 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.497 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 2.9 t -126.63 -51.02 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 2.2000000000000002 110.403 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.942 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 44.33 -95.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 2.4100000000000001 109.245 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -160.3 162.91 23.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.589 1.181 . . . . 1.4399999999999999 108.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.0 51.48 2.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 2.46 111.017 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 63' ' ' SER . 95.5 m 66.78 3.31 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 2.8100000000000001 110.401 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -38.65 -30.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 4.3099999999999996 109.25 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' HB2' ' CB ' ' A' ' 9' ' ' THR . 73.0 m-85 -146.45 -44.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 2.7599999999999998 111.014 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 2' ' ' HIS . 3.1 mp -49.43 179.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 2.9199999999999999 109.228 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.633 ' HB3' HG23 ' A' ' 59' ' ' THR . 2.5 p 86.94 27.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 4.1399999999999997 109.969 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -113.56 -36.16 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 6.5300000000000002 109.255 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -115.34 -41.64 3.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 4.9500000000000002 110.235 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.67 137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 4.1699999999999999 109.288 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -145.54 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 3.5499999999999998 111.027 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -39.63 149.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 3.6899999999999999 109.255 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.94 53.42 40.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 4.4800000000000004 111.033 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.85 -50.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 3.8500000000000001 109.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 72' ' ' THR . 4.9 tt0 -175.89 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 9.1899999999999995 110.247 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' GLU . 1.9 p 35.64 39.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 7.2999999999999998 110.426 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 m -117.11 -49.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 9.1899999999999995 110.409 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' CD ' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -127.39 -37.1 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 13.710000000000001 110.28 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -95.3 27.46 3.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 7.8200000000000003 109.999 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 5.0 mtp -36.39 -41.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 12.66 110.971 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.621 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 112.81 30.94 2.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 13.289999999999999 111.029 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.675 ' N ' HD23 ' A' ' 78' ' ' LEU . 2.0 mt -98.4 -50.84 4.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 0.799 . . . . 13.970000000000001 109.343 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.28 -49.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 11.789999999999999 109.318 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 14.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.942 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.97 ' S3 ' HD11 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.024 -0.361 . . . . 6.21 110.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -98.69 -173.67 2.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 6.2599999999999998 109.588 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p 60.55 163.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 2.5600000000000001 109.995 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' CD2' ' A' ' 68' ' ' LEU . 11.6 p -157.01 44.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 3.25 109.328 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -75.95 153.78 36.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 2.8199999999999998 109.275 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 5.8 mm -74.18 129.72 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 2.6600000000000001 109.366 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 10.1 m-85 -169.25 172.54 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 2.5699999999999998 111.01 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.659 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.8 p30 -87.15 43.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 2.2000000000000002 109.313 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.855 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.0 t -88.08 94.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.97999999999999998 110.452 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HA ' ' S2 ' ' A' ' 81' ' ' SF4 . 6.6 t -160.24 163.8 33.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.91000000000000003 108.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.863 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.6 pp -150.5 -45.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.26 109.324 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 142.53 42.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.086 . . . . 1.4299999999999999 110.996 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -178.53 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.324 -0.991 . . . . 1.5 108.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 14' ' ' THR . 2.8 t -117.98 82.83 1.9 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 4.0899999999999999 110.367 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 3.2 pt20 -174.01 143.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 2.1699999999999999 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.63 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 87.67 -48.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.84999999999999998 108.328 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.588 HG23 ' SG ' ' A' ' 16' ' ' CYS . 6.4 t -82.18 -7.05 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.61 1.194 . . . . 1.1399999999999999 109.358 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -41.87 2.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 3.4199999999999999 110.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.2 80.59 1.79 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.549 1.156 . . . . 2.02 109.348 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 24' ' ' VAL . 39.1 t -174.12 119.1 0.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 1.01 108.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.1 Cg_endo -75.03 -61.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.379 1.726 . . . . 1.3799999999999999 110.951 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 1.2 mt -54.94 -20.06 8.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 1.5800000000000001 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.81 87.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 4.4000000000000004 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.75 HG21 ' S2 ' ' A' ' 82' ' ' SF4 . 20.9 m -110.93 -53.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 2.7999999999999998 109.368 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.3 mp -51.83 100.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.90000000000000002 109.285 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.98 -177.73 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 2.5499999999999998 110.259 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.36 133.32 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 2.71 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.5 172.81 5.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.63 109.293 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.05 114.33 4.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.472 1.775 . . . . 0.76000000000000001 111.044 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.659 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.0 t-105 -132.38 173.42 11.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.55 1.156 . . . . 1.1599999999999999 108.012 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.0 t70 -138.54 60.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 2.1299999999999999 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.32 -34.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.68999999999999995 110.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 163.81 26.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.246 -1.02 . . . . 1.02 108.246 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -24.14 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 3.4399999999999999 109.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.09 18.69 18.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.76000000000000001 109.391 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 42.24 52.35 5.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.085 . . . . 0.68000000000000005 111.012 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.98 120.05 7.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 0.739 . . . . 0.60999999999999999 110.384 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -97.91 142.83 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.57999999999999996 109.343 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.4 102.76 13.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.52000000000000002 109.363 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.74 -172.78 3.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0900000000000001 109.995 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -128.54 90.4 46.63 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 2.1200000000000001 110.026 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.428 1.752 . . . . 1.95 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -94.16 79.53 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 3.3700000000000001 110.273 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 m -89.24 25.79 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.29 110.368 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -52.09 -30.71 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 3.6299999999999999 110.244 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -112.78 107.55 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 3.2200000000000002 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.9 OUTLIER 168.3 96.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 1.51 108.333 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 ' O ' HG12 ' A' ' 48' ' ' VAL . 86.8 t -94.28 39.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 3.2999999999999998 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.701 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 47.39 80.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 1.4199999999999999 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.492 ' SG ' ' CD ' ' A' ' 52' ' ' ARG . 20.6 p -75.49 -29.2 59.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.336 -0.987 . . . . 3.1000000000000001 108.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 85.86 58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 5.7199999999999998 109.302 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.829 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -123.72 -49.07 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 5.2999999999999998 110.289 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -48.73 -94.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.408 1.068 . . . . 2.3799999999999999 108.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 50.56 29.53 4.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 4.1799999999999997 110.316 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 53' ' ' CYS . 21.5 p -136.1 50.5 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 3.1600000000000001 110.336 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' O ' HD21 ' A' ' 62' ' ' LEU . . . -70.86 69.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 3.2400000000000002 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.709 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER 59.72 155.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.3400000000000001 108.253 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.08 37.09 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.767 . . . . 2.48 111.001 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 3.4 p 57.23 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 4.29 110.346 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' THR . 0.2 OUTLIER 156.06 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 3.77 109.202 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -109.51 -69.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 2.7000000000000002 111.024 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 56' ' ' ALA . 4.3 pp -51.57 143.2 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 3.1699999999999999 109.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 64' ' ' ILE . 41.6 m -88.99 43.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 4.75 109.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 62' ' ' LEU . 5.3 pt 32.48 86.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 6.46 109.31 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -88.4 -20.97 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 3.6600000000000001 110.296 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.7 t 61.82 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 3.3100000000000001 109.283 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -142.31 -59.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 3.48 110.953 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.5 mm? -40.36 145.99 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 3.2400000000000002 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.46 50.57 7.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.381 1.051 . . . . 4.2300000000000004 110.948 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 72' ' ' THR . . . -149.64 -57.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 4.5300000000000002 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 72' ' ' THR . 10.2 pt-20 -63.99 121.32 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 7.4900000000000002 110.266 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 73' ' ' THR . 3.9 t -176.8 60.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 6.75 110.427 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER 84.53 -44.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.970000000000001 110.408 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HD3' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -83.89 -31.07 25.89 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 9.5899999999999999 110.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.423 ' CB ' ' HD3' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -132.8 22.74 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 7.9699999999999998 109.994 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.435 ' SD ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -38.1 -61.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 12.24 110.946 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -174.51 -39.68 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 13.42 111.049 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -105.06 -47.62 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 14.359999999999999 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.34 -31.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 10.92 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 17.260000000000002 110.938 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.863 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.832 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.551 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 2.7 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.038 -0.356 . . . . 8.9700000000000006 110.038 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.551 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 70.44 122.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 6.71 109.595 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LEU . 8.3 t 54.0 -175.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 3.6699999999999999 110.012 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.811 HG21 HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 179.32 -37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 3.9300000000000002 109.244 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -40.15 146.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 4.7699999999999996 109.319 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.774 HG23 ' S2 ' ' A' ' 81' ' ' SF4 . 4.0 mp -118.01 99.61 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 7.6200000000000001 109.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 9' ' ' THR . 12.6 m-85 -84.48 178.02 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 3.9100000000000001 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 1.1 p30 -43.36 -25.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 2.6299999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 9' ' ' THR . 5.4 t -47.94 92.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.6799999999999999 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.857 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -152.65 126.12 8.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 1.3500000000000001 108.313 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -115.93 -32.54 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.6499999999999999 109.338 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.55 47.53 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 1.51 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -107.1 138.16 43.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.286 -1.005 . . . . 1.8300000000000001 108.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -80.61 64.52 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 2.9399999999999999 110.369 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.875 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -147.63 136.91 22.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 2.29 110.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.863 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 88.27 -39.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.05 108.315 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 ' SG ' ' A' ' 16' ' ' CYS . 45.9 t -94.22 9.06 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 1.3700000000000001 109.274 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -133.79 -49.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 2.2799999999999998 110.368 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.6 -54.67 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 2.3999999999999999 109.322 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.69 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 39.0 t -40.72 119.31 1.62 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 1.3999999999999999 108.266 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.3 Cg_endo -75.03 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.458 1.768 . . . . 2.2000000000000002 111.025 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.922 HD21 ' S3 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -68.02 -8.6 38.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 2.7999999999999998 109.328 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 62.07 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 5.0599999999999996 109.32 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HD12 ' A' ' 22' ' ' LEU . 53.7 t -119.04 -55.73 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 2.3799999999999999 109.337 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 16' ' ' CYS . 4.2 mp -49.02 131.88 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 1.24 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.9 -170.25 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.29 110.245 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -86.79 134.63 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 3.8300000000000001 111.073 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 38' ' ' ILE . 1.1 m -119.89 168.71 9.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.56000000000000005 109.312 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.01 111.54 3.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.73999999999999999 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.611 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 33.5 t-105 -120.67 -123.76 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 1.78 107.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CA ' ' HA2' ' A' ' 36' ' ' GLY . 0.3 OUTLIER 168.33 -42.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 2.7400000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.97 -17.63 37.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.564 1.165 . . . . 1.1899999999999999 111.009 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 165.7 20.16 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.325 -0.991 . . . . 1.7 108.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -27.23 67.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 3.5699999999999998 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.68 11.16 22.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.6599999999999999 109.338 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.88 36.78 74.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 1.3 111.051 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -138.7 119.14 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 1.0900000000000001 110.339 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -102.53 132.7 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.1599999999999999 109.286 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.7 104.09 4.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 1.22 109.259 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -141.59 178.12 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.29 110.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -121.28 80.04 36.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 2.2400000000000002 109.989 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CG1' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -63.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 3.3799999999999999 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -86.78 84.47 7.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 3.4300000000000002 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' CYS . 86.8 m -83.03 18.62 1.6 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 1.4299999999999999 110.427 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.02 -27.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 3.7999999999999998 110.31 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.0 87.89 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 3.6200000000000001 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' HG22 ' A' ' 44' ' ' THR . 0.7 OUTLIER 171.79 148.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.3400000000000001 108.355 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 48' ' ' VAL . 8.2 p -143.7 48.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 2.98 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.707 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 36.93 82.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.516 1.135 . . . . 1.48 111.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.711 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 14.4 p -90.26 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.265 -1.013 . . . . 2.5499999999999998 108.265 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 39.67 63.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 6.7699999999999996 109.347 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.838 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -150.51 -156.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 5.2300000000000004 110.301 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 52' ' ' ARG . 1.6 p 44.11 37.76 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 2.29 108.358 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 50.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 3.8500000000000001 110.269 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 56' ' ' ALA . 17.5 p -132.66 -61.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 2.9300000000000002 110.401 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.467 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 61.33 -93.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.05 . . . . 2.0499999999999998 109.301 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.78 83.19 0.14 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 2.4900000000000002 108.222 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' HD12 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 143.0 28.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 4.4100000000000001 110.926 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 60' ' ' ASP . 95.1 m 68.05 -60.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 5.5199999999999996 110.375 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -34.32 -46.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 5.5 109.284 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -168.4 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 4.2199999999999998 110.973 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 58' ' ' PRO . 3.2 mt 45.38 87.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.618 1.199 . . . . 3.4500000000000002 109.252 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 7.8 p -61.95 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.396 1.06 . . . . 5.4699999999999998 110.028 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -175.54 75.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 6.9100000000000001 109.329 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 63' ' ' SER . 9.3 mpt_? -112.65 120.91 43.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 5.9500000000000002 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.4 t -43.99 104.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 5.9900000000000002 109.265 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.779 ' CD1' HG12 ' A' ' 4' ' ' VAL . 2.1 m-85 -149.93 -164.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 5.2999999999999998 110.946 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.811 HD23 HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -30.65 125.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 4.1799999999999997 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.98 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 4.4800000000000004 110.967 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.17 -53.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 0.767 . . . . 3.77 109.235 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' THR . 8.3 pt-20 -65.88 -170.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 5.8399999999999999 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 72' ' ' THR . 6.7 t 35.78 43.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 5.4299999999999997 110.406 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -110.06 -46.68 3.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.383 1.052 . . . . 7.5800000000000001 110.414 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -112.5 -23.23 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 10.85 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' MET . 1.3 t -113.7 18.94 17.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 8.9399999999999995 109.981 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . 1.7 ptm -35.57 -50.78 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 9.1400000000000006 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.03 -36.48 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 10.470000000000001 110.974 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -108.23 -58.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 11.960000000000001 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.947 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.84 -32.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 12.57 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . 1.1 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 16.25 111.026 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.875 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.922 ' S3 ' HD21 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 16.489999999999998 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -40.48 134.24 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 14.359999999999999 109.614 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.534 ' O ' ' C ' ' A' ' 4' ' ' VAL . 16.8 p 44.21 -154.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 6.3799999999999999 110.056 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' VAL . 17.2 m 30.1 57.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 3.0899999999999999 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 5.3 ptpt -61.4 175.11 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 8.0299999999999994 109.332 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -104.11 72.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 2.2200000000000002 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CD1' ' HD3' ' A' ' 5' ' ' LYS . 6.2 m-85 -129.93 167.39 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 2.9399999999999999 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.5 p-10 -88.84 42.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 2.02 109.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 61' ' ' PHE . 1.1 t -92.06 92.45 8.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.101 . . . . 0.98999999999999999 110.368 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 17.3 t -156.37 149.01 23.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.90000000000000002 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -110.17 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 1.4299999999999999 109.293 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.67 34.24 1.01 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.449 1.093 . . . . 1.5600000000000001 110.994 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.826 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -113.72 171.57 7.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.302 -0.999 . . . . 1.6699999999999999 108.302 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.447 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 80.7 p -130.29 71.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 3.98 110.371 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.957 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.4 pt20 -112.15 -48.38 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 2.8700000000000001 110.278 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.3 p -81.32 11.78 4.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 1.1100000000000001 108.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG22 ' HB1' ' A' ' 39' ' ' ALA . 4.0 t -114.92 5.33 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 1.04 109.261 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.69 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.172 . . . . 2.5099999999999998 110.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.53 90.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 1.76 109.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.544 ' SG ' HG12 ' A' ' 24' ' ' VAL . 50.4 t -179.54 103.77 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 1.1399999999999999 108.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD3' ' CG ' ' A' ' 52' ' ' ARG . 18.3 Cg_endo -74.97 -50.31 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.442 1.759 . . . . 1.47 110.956 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.4 OUTLIER -60.94 -20.56 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 2.0499999999999998 109.243 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.41 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 4.0599999999999996 109.284 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.867 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 11.3 p -112.49 -36.35 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 2.0600000000000001 109.25 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.7 mp -68.05 127.32 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 1.6000000000000001 109.248 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.69 -170.68 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 2.23 110.385 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -102.07 132.98 47.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 2.73 111.038 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.897 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.5 m -119.21 164.45 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.378 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.0 111.32 3.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.87 111.046 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.9 t-105 -127.28 173.82 9.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.989 -1.115 . . . . 1.4199999999999999 107.989 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.8 t70 -138.19 61.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 2.1000000000000001 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.3 -34.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.89000000000000001 110.985 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.02 170.61 14.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.222 -1.029 . . . . 1.24 108.222 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -22.81 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 3.71 109.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.62 19.38 14.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 1.1100000000000001 109.235 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.82 53.42 7.3 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 1.01 111.024 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -150.62 119.57 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 0.805 . . . . 1.1399999999999999 110.295 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.897 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.0 136.05 27.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.81000000000000005 109.33 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -78.05 101.77 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.69999999999999996 109.309 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -133.38 -168.82 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.03 110.002 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.82 89.7 48.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 1.8799999999999999 110.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.561 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.99 -65.0 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.5 1.789 . . . . 1.5900000000000001 111.032 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.84 80.67 4.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 3.0699999999999998 110.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.731 HG23 HG21 ' A' ' 24' ' ' VAL . 97.0 m -88.49 29.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.96999999999999997 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.74 -23.16 64.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 3.0099999999999998 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -125.89 103.04 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 3.1699999999999999 109.243 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 170.18 93.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.6599999999999999 108.326 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -95.44 49.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 3.1099999999999999 109.253 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.593 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 42.55 78.0 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 1.4099999999999999 111.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 14.7 p -77.39 -27.81 52.57 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.31 -0.996 . . . . 2.8999999999999999 108.31 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HG3' HD11 ' A' ' 68' ' ' LEU . 15.5 tttm 79.56 57.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 5.5899999999999999 109.298 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -122.38 -41.24 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 5.9000000000000004 110.327 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -48.97 -83.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 3.04 108.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' CYS . 1.8 tm-20 38.59 50.69 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 4.0099999999999998 110.279 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.9 t -167.5 30.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 2.5099999999999998 110.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.897 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -55.15 -73.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 2.21 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.574 ' O ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 171.96 170.36 0.22 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.53 108.279 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 3.23 111.006 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' PHE . 84.9 m -69.67 -9.38 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 4.0999999999999996 110.378 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.57 -26.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 3.98 109.374 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.486 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -122.88 -72.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 2.9500000000000002 110.977 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 67' ' ' TYR . 2.9 pp -49.5 127.56 15.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 3.1600000000000001 109.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -76.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 4.5199999999999996 109.972 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 tt 177.87 92.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 6.6600000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 5' ' ' LYS . 9.7 ttt180 -114.31 -62.13 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 6.0700000000000003 110.311 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 ' C ' ' CG ' ' A' ' 67' ' ' TYR . 12.1 p -167.31 150.33 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 6.5999999999999996 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.605 ' CE1' HD13 ' A' ' 62' ' ' LEU . 17.0 m-85 -163.0 152.81 15.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 10.039999999999999 110.96 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.0 mm? -39.03 -38.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 3.8900000000000001 109.323 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.51 57.9 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 5.8700000000000001 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.12 -46.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 5.2300000000000004 109.328 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.4 -54.36 6.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 7.3799999999999999 110.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 t -77.44 -0.04 24.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 11.51 110.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 m -60.38 -58.02 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 14.65 110.37 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -114.21 -25.94 8.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 14.32 110.312 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -80.34 -14.34 58.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 12.59 109.999 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.68 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 17.300000000000001 111.015 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -170.7 -36.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 14.23 111.049 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -101.39 -45.34 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 16.640000000000001 109.378 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -42.97 -29.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 15.960000000000001 109.29 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 14.960000000000001 111.019 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.957 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.867 ' S2 ' HG11 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.505 ' C ' ' CG ' ' A' ' 2' ' ' HIS . 9.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.025 -0.361 . . . . 5.8600000000000003 110.025 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.505 ' CG ' ' C ' ' A' ' 1' ' ' SER . 0.2 OUTLIER 170.2 -172.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 5.96 109.586 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' CA ' ' A' ' 66' ' ' VAL . 13.3 t 59.09 159.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 2.3799999999999999 110.057 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.1 p -162.12 30.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 2.5499999999999998 109.302 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.52 125.11 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 3.02 109.383 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.662 HG21 ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -52.87 132.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 4.4900000000000002 109.328 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -159.74 175.36 13.24 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.502 1.126 . . . . 2.1899999999999999 110.945 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.599 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.4 p30 -86.23 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 2.0600000000000001 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.521 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 2.0 t -101.22 89.87 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.79000000000000004 110.454 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.8 t -153.82 124.53 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.83999999999999997 108.328 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.709 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -108.1 -22.78 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 1.6699999999999999 109.251 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.5 49.85 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 1.51 110.989 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -114.65 173.16 6.61 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 1.29 108.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.7 p -114.08 64.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.123 . . . . 3.21 110.401 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.898 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.7 pt20 -146.08 141.8 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 2.1600000000000001 110.347 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 88.7 -25.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.94999999999999996 108.356 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 74.3 t -104.52 18.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 1.1899999999999999 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 -49.53 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 3.0800000000000001 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.77 72.88 8.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 1.72 109.296 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.703 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 18.9 t -153.98 93.54 2.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.1799999999999999 108.244 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -40.01 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 1.51 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -61.91 -18.11 59.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 2.3999999999999999 109.363 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.43 69.66 0.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 4.21 109.361 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 47' ' ' CYS . 11.4 t -115.98 -52.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 2.75 109.227 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.758 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.1 mt -58.3 105.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.1599999999999999 109.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 8.8 mt-10 -131.94 -163.67 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.068 . . . . 2.6800000000000002 110.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.55 138.33 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 2.8300000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -124.65 176.63 2.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.53000000000000003 109.356 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 113.73 3.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.68000000000000005 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.9 t-105 -136.18 174.77 10.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.0 -1.111 . . . . 1.0900000000000001 108.0 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.91 59.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 1.96 109.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.29 -33.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.67000000000000004 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.17 165.65 24.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.353 -0.98 . . . . 0.91000000000000003 108.353 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -24.26 65.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 6.1100000000000003 109.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.03 24.23 11.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.66000000000000003 109.307 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 40.65 51.26 3.92 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.55000000000000004 111.008 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -146.43 121.61 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.78000000000000003 110.318 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -100.98 118.51 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.68999999999999995 109.269 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -55.55 104.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.53000000000000003 109.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' GLU . 25.2 m -149.31 -177.16 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.92000000000000004 110.03 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.662 ' O ' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -117.94 95.67 48.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 2.4700000000000002 110.05 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 1.8700000000000001 110.945 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.19 80.09 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 3.2400000000000002 110.298 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 44' ' ' THR . 8.9 m -88.76 24.45 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 1.1100000000000001 110.416 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -46.12 -26.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 3.0899999999999999 110.266 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.99 97.16 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 4.46 109.233 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.687 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.7 OUTLIER 168.82 134.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 2.8199999999999998 108.274 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 48' ' ' VAL . 12.7 p -174.63 56.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 6.3700000000000001 109.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.996 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 69.61 104.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 2.8100000000000001 111.024 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.941 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 19.1 p -123.72 -49.97 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.314 -0.995 . . . . 3.5699999999999998 108.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.4 OUTLIER -127.34 45.76 2.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 10.880000000000001 109.353 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 53' ' ' CYS . 5.5 mtt180 66.22 161.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 9.0800000000000001 110.261 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 52' ' ' ARG . 2.6 p 166.96 42.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 2.79 108.313 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -96.49 43.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 5.1500000000000004 110.323 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 15' ' ' GLN . 10.3 t -137.82 39.51 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 2.2400000000000002 110.419 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.911 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.08 -47.24 22.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.3199999999999998 109.301 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.0 OUTLIER -179.08 153.73 0.75 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 1.3899999999999999 108.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 53.9 3.47 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.564 1.823 . . . . 2.2799999999999998 110.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER 64.45 -149.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 3.1800000000000002 110.425 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 84.02 -43.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 109.333 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 21.3 m-85 -109.89 -62.53 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 2.46 110.935 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.98 134.6 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 2.79 109.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.1 p -95.34 38.5 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 4.04 110.042 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' CD1' HG23 ' A' ' 59' ' ' THR . 4.9 mp 44.18 90.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 7.2999999999999998 109.28 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -5.82 56.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 5.1299999999999999 110.355 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' CA ' ' HB2' ' A' ' 3' ' ' SER . 92.9 t 58.08 106.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 3.3199999999999998 109.313 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.72 -69.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 3.54 111.016 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -43.47 125.53 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 4.1399999999999997 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 38.23 73.97 0.13 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 3.8799999999999999 111.031 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.1 -50.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 3.8199999999999998 109.276 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -59.24 -70.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 7.4900000000000002 110.346 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p 39.92 72.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 6.46 110.415 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 t -164.89 -47.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 8.7699999999999996 110.406 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.4 -27.58 8.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 12.41 110.269 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' MET . 44.6 p -119.55 8.17 11.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.093 . . . . 7.7300000000000004 110.001 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' SER . 8.5 ttt -36.69 -63.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 8.8499999999999996 111.064 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.598 ' C ' ' CE1' ' A' ' 80' ' ' TYR . . . 148.43 42.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.584 1.178 . . . . 10.199999999999999 111.02 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -120.62 -60.05 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 0.734 . . . . 10.779999999999999 109.263 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.95 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -82.3 -31.34 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 11.960000000000001 109.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CE1' ' C ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 14.65 111.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.911 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.996 ' S4 ' ' CA ' ' A' ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.043 -0.354 . . . . 6.4800000000000004 110.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.626 ' O ' HD22 ' A' ' 62' ' ' LEU . 26.5 m80 -130.96 147.35 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 5.7300000000000004 109.666 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 68' ' ' LEU . 10.5 p 58.48 157.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.476 1.11 . . . . 2.3199999999999998 110.01 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -156.54 50.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 2.1899999999999999 109.275 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' CD ' ' A' ' 65' ' ' ARG . 2.6 mmmt -57.69 -167.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 3.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 40' ' ' SER . 4.4 mm -98.18 73.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 2.1099999999999999 109.341 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 18.6 m-85 -111.25 166.35 11.17 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.562 1.164 . . . . 2.77 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.627 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.9 p-10 -84.91 45.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.99 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.585 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.8 t -91.66 94.35 9.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.94999999999999996 110.425 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.559 ' HA ' ' S3 ' ' A' ' 81' ' ' SF4 . 7.5 t -159.99 113.26 2.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.80000000000000004 108.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.92 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -100.29 8.08 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 2.1299999999999999 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 53.25 2.87 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.3100000000000001 110.981 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.877 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -120.45 150.29 41.04 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.309 -0.997 . . . . 1.21 108.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -91.48 64.91 5.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 2.8100000000000001 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.778 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.9 OUTLIER -146.36 143.72 29.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 2.2400000000000002 110.285 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 86.61 -21.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.81000000000000005 108.268 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -102.61 8.84 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.90000000000000002 109.3 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -57.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 2.8599999999999999 110.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.11 84.64 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 1.6000000000000001 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.697 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.4 t -170.8 102.71 0.41 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 1.2 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.17 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 1.55 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.875 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 1.3 mp -69.6 -23.96 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 1.8400000000000001 109.349 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t70 61.25 87.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 3.4399999999999999 109.314 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.754 ' CG1' ' S2 ' ' A' ' 82' ' ' SF4 . 13.7 p -123.14 -42.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 2.27 109.263 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' CYS . 2.5 mp -64.0 117.86 7.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.1399999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 6.0 mm-40 -131.9 -169.17 2.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 2.1699999999999999 110.275 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.51 136.23 35.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 2.7799999999999998 111.05 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.42 170.79 8.64 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.56000000000000005 109.316 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.444 1.76 . . . . 0.80000000000000004 111.033 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.627 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 58.7 t-105 -134.17 174.72 10.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.982 -1.118 . . . . 1.21 107.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 10.6 t0 -141.43 60.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 2.0499999999999998 109.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.75 -33.61 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.82999999999999996 111.036 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 172.03 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.311 -0.996 . . . . 1.1599999999999999 108.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -25.63 66.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 3.6699999999999999 109.318 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.57 23.12 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.78000000000000003 109.348 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.4 51.68 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.578 1.174 . . . . 0.76000000000000001 111.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.83 119.91 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.60999999999999999 110.308 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.682 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -96.49 141.77 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 109.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -81.45 105.14 12.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.51000000000000001 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.0 m -135.5 -173.41 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 1.0600000000000001 110.031 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -113.74 91.94 23.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 1.78 110.024 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -59.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.456 1.766 . . . . 1.53 111.03 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -93.86 80.31 4.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 3.8500000000000001 110.264 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 42.1 m -86.1 31.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.1100000000000001 110.421 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.22 -15.35 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 3.1499999999999999 110.315 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.4 t0 -125.11 -152.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 4.1299999999999999 109.36 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 14.0 t 69.9 140.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 1.29 108.265 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.6 m -153.01 39.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 3.1000000000000001 109.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.636 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.31 84.28 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.561 1.163 . . . . 2.0899999999999999 111.013 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 16.3 p -95.66 24.16 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.257 -1.016 . . . . 2.9399999999999999 108.257 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.51 74.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 7.1500000000000004 109.27 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -145.17 -45.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 5.21 110.341 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.2 p -84.58 51.85 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 1.99 108.341 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.52 64.17 8.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 3.5299999999999998 110.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 56' ' ' ALA . 9.8 t -152.17 -53.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 2.6200000000000001 110.409 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.778 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 67.04 -77.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 2.2200000000000002 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.523 ' CB ' ' OG1' ' A' ' 9' ' ' THR . 0.5 OUTLIER -173.44 142.68 0.98 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.3300000000000001 108.259 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' O ' ' OG1' ' A' ' 59' ' ' THR . 18.4 Cg_endo -74.95 88.1 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.475 1.777 . . . . 3.27 111.015 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 68.7 p 48.6 -163.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 4.7599999999999998 110.414 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t70 86.18 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 4.6600000000000001 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 9' ' ' THR . 60.2 m-85 -145.14 -97.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 2.48 111.037 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 2' ' ' HIS . 4.1 mt 69.05 -62.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 4.2400000000000002 109.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.93 141.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 5.3799999999999999 109.967 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 tt -75.15 124.77 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 6.5999999999999996 109.299 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 16.9 mmt180 -148.62 -43.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 5.8600000000000003 110.229 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.4 t 65.65 91.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 3.5499999999999998 109.324 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 65' ' ' ARG . 8.7 m-85 -134.16 -59.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 3.5 110.962 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 3' ' ' SER . 41.1 mt -41.62 107.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 3.3599999999999999 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.87 76.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 3.7999999999999998 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.45 -57.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 3.1400000000000001 109.253 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.97 119.29 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 5.9699999999999998 110.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.9 t -162.66 28.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 6.4800000000000004 110.381 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -96.04 -27.81 14.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 9.1500000000000004 110.394 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -18.41 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 11.449999999999999 110.337 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -2.13 25.26 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 1.107 . . . . 8.4499999999999993 109.944 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.46 -40.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 11.08 111.045 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.642 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 122.98 37.89 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.569 1.168 . . . . 12.49 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.642 HD23 ' C ' ' A' ' 77' ' ' GLY . 3.5 mt -110.38 -65.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 12.58 109.305 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -91.23 -36.8 13.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 12.279999999999999 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.572 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 15.199999999999999 110.971 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.92 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.875 ' S3 ' ' HB2' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.954 -0.387 . . . . 17.789999999999999 109.954 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.592 ' HB3' HD23 ' A' ' 68' ' ' LEU . 44.9 m170 52.92 174.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 14.609999999999999 109.581 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -59.94 -151.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 4.8200000000000003 109.943 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.605 HG21 HD21 ' A' ' 25' ' ' LEU . 7.6 p 40.58 55.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 2.48 109.285 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 10.0 mttt -69.22 -177.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 3.8799999999999999 109.26 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.76 103.01 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.401 1.063 . . . . 2.54 109.326 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 31.7 m-85 -139.05 151.25 46.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 2.4100000000000001 110.995 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 4.3 p-10 -92.22 36.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.8999999999999999 109.257 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.648 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.1 t -89.68 92.54 9.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.531 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.1 t -155.47 133.47 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.84999999999999998 108.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.844 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.04 -14.8 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 1.45 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.97 35.08 0.92 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.473 1.108 . . . . 1.03 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.719 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.16 169.26 8.9 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.264 -1.013 . . . . 1.27 108.264 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.431 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 16.4 p -134.52 78.37 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 2.8100000000000001 110.448 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.833 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 15.0 pt20 -121.13 -49.27 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 2.8199999999999998 110.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.719 ' O ' HD22 ' A' ' 25' ' ' LEU . 1.9 p -83.89 14.31 4.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 108.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -120.45 15.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.97999999999999998 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.46 -49.53 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 3.3900000000000001 110.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -76.22 82.14 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 2.0800000000000001 109.27 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB2' HD12 ' A' ' 25' ' ' LEU . 10.1 t -173.4 80.81 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 1.29 108.314 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 12.28 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.566 1.824 . . . . 1.8300000000000001 111.002 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.869 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 32.6 mt -116.19 -100.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 1.79 109.315 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 178.28 85.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 5.5300000000000002 109.26 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.86 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 54.6 t -131.65 -68.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 2.1200000000000001 109.243 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -68.27 77.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.1100000000000001 109.298 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 mm-40 -106.57 -171.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 2.0499999999999998 110.372 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.86 134.95 33.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 2.54 111.002 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.3 m -128.17 166.03 26.77 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.135 . . . . 0.42999999999999999 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 118.05 5.14 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.523 1.801 . . . . 0.69999999999999996 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 32.6 t-105 -126.85 -116.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 1.25 107.954 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 167.66 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 3.1400000000000001 109.366 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.02 -16.83 6.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.69999999999999996 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 155.23 26.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.326 -0.991 . . . . 1.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -27.88 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 4.2000000000000002 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.38 15.91 21.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 109.277 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 52.01 41.57 52.84 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.486 1.116 . . . . 0.66000000000000003 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -148.16 118.41 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.69999999999999996 110.334 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -98.6 143.73 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.80000000000000004 109.302 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -79.06 111.63 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.46000000000000002 109.274 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 26' ' ' GLU . 20.7 m -152.85 -174.99 5.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.96999999999999997 110.038 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 2.7 m -85.58 119.47 72.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 2.1299999999999999 110.009 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.418 1.746 . . . . 1.8999999999999999 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' O ' ' HB ' ' A' ' 44' ' ' THR . 1.8 mmp_? -135.76 -31.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 4.3899999999999997 110.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 ' OG1' ' HB3' ' A' ' 41' ' ' SER . 87.8 m 69.22 7.52 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 1.2 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -40.08 -29.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 2.5899999999999999 110.369 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 28.8 m-20 -116.71 122.77 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 3.1499999999999999 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.838 ' HA ' HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER 158.64 149.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.96 108.294 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.2 p -147.44 36.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 3.0800000000000001 109.296 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.818 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 52.44 79.31 0.08 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 1.6299999999999999 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.606 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 20.2 p -79.09 -143.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 2.2599999999999998 108.305 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' CYS . 1.1 mttt -39.37 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 9.9499999999999993 109.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.51 174.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 10.91 110.249 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 p -163.7 52.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 3.2400000000000002 108.328 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 2.44 56.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 7.5 110.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.6 t -89.14 20.39 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 1.97 110.412 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.804 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -47.45 -52.04 18.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 1.058 . . . . 2.1899999999999999 109.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 171.12 164.32 0.23 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 1.6200000000000001 108.268 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.02 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 3.23 110.997 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -74.56 -12.12 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.161 . . . . 3.7400000000000002 110.43 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -26.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 3.4399999999999999 109.279 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -144.14 -67.04 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 3.0499999999999998 110.995 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -55.59 133.5 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 3.21 109.362 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.662 ' C ' HD13 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -90.98 29.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 3.46 110.009 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' C ' ' A' ' 63' ' ' SER . 0.1 OUTLIER 35.62 78.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 8.1099999999999994 109.277 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' TYR . 10.0 mmt180 -75.01 87.64 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 6.0099999999999998 110.32 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.68 94.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 3.7000000000000002 109.282 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' ARG . 5.7 m-85 -134.41 -44.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 4.6900000000000004 110.987 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD23 ' HB3' ' A' ' 2' ' ' HIS . 60.0 mt -43.41 104.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 2.8900000000000001 109.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.76 65.02 0.69 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 4.3700000000000001 111.048 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.16 -57.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 3.6600000000000001 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 8.6999999999999993 110.29 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.1 p 38.83 64.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 6.3600000000000003 110.348 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.9 t -155.62 -44.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 9.2400000000000002 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -93.95 -24.36 17.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 11.869999999999999 110.266 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -134.19 14.48 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 9.5199999999999996 110.052 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.1 ttt -36.41 -55.19 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 9.0700000000000003 111.051 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 178.05 -41.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.093 . . . . 10.710000000000001 111.051 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.854 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.08 -47.31 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 11.880000000000001 109.344 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.779 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.66 -32.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 11.869999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 3.8 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 15.83 111.063 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.844 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.869 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.001 -0.37 . . . . 6.1600000000000001 110.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.71 177.75 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 6.1900000000000004 109.542 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p 59.57 153.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 2.8300000000000001 109.973 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 56' ' ' ALA . 89.1 t -143.78 -56.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 2.8300000000000001 109.234 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.8 ttpt 44.16 -167.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 4.3399999999999999 109.298 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 40' ' ' SER . 2.9 mp -111.89 64.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.153 . . . . 2.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.96 163.99 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 2.0600000000000001 110.995 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.663 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -87.22 43.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 2.25 109.313 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -98.64 94.31 6.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.89000000000000001 110.389 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' CB ' HG13 ' A' ' 38' ' ' ILE . 5.6 t -153.14 157.55 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.70999999999999996 108.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.646 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.5 pp -135.61 -42.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 1.6499999999999999 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.44 43.81 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 1.4099999999999999 110.959 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.463 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -109.76 159.82 16.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.357 -0.979 . . . . 1.51 108.357 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -99.13 48.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 3.2000000000000002 110.417 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.88 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.9 OUTLIER -127.31 140.22 52.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 2.0 110.317 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.53 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 84.79 -48.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.02 108.31 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 5.3 t -81.33 4.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.1399999999999999 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 -47.98 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 2.4900000000000002 110.329 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -41.95 -60.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 2.6400000000000001 109.287 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' ALA . 49.1 t -41.13 114.65 1.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.1699999999999999 108.284 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -39.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.459 1.768 . . . . 1.71 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.051 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -51.98 -95.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 2.4300000000000002 109.218 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.22 41.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.457 1.098 . . . . 3.8500000000000001 109.258 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HB2' ' A' ' 47' ' ' CYS . 85.7 t -98.88 167.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 3.1899999999999999 109.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.1 mp 69.93 72.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.6 OUTLIER -102.67 -167.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 1.97 110.306 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -77.93 138.53 38.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 4.9400000000000004 110.989 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.7 m -137.45 164.01 44.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.54000000000000004 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.98 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.506 1.793 . . . . 0.64000000000000001 111.067 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.663 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 27.1 t-105 -130.98 -115.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 107.966 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.3 OUTLIER 167.51 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 2.4900000000000002 109.375 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.13 -14.82 6.31 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.82999999999999996 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 156.28 27.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.346 -0.983 . . . . 1.3799999999999999 108.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -27.86 65.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 3.3700000000000001 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.89 16.09 19.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.97999999999999998 109.261 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 55.8 38.55 73.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.453 1.096 . . . . 0.79000000000000004 111.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -145.64 121.97 10.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.471 0.748 . . . . 1.02 110.322 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.985 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.61 146.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.52000000000000002 109.288 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.45 110.45 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.68999999999999995 109.314 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.723 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -151.16 -175.55 5.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 1.0600000000000001 110.021 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.6 m -84.77 134.06 42.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.6399999999999999 110.009 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -56.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 2.3799999999999999 111.052 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.8 mtt-85 -147.13 13.88 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 3.6699999999999999 110.289 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.5 m 39.09 27.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 110.389 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -61.75 -29.61 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 2.6200000000000001 110.266 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -114.58 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 2.9700000000000002 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.891 ' HB2' HG21 ' A' ' 24' ' ' VAL . 1.5 t 169.29 151.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 1.4199999999999999 108.328 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 49' ' ' GLY . 27.7 m -142.96 -48.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.1400000000000001 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.848 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 147.3 73.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.585 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 30.9 p -77.65 -29.61 51.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.356 -0.979 . . . . 3.5 108.356 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 89.07 57.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.488 1.118 . . . . 6.1600000000000001 109.32 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -151.5 46.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 6.2300000000000004 110.258 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 p -150.92 34.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 2.0099999999999998 108.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.23 49.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 4.5199999999999996 110.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.663 HG23 ' HG3' ' A' ' 15' ' ' GLN . 9.3 t -139.54 27.2 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 2.3199999999999998 110.364 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 4' ' ' VAL . . . -48.48 175.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 3.3799999999999999 109.231 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.76 ' C ' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -71.12 175.74 2.54 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 1.2 108.33 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.0 Cg_endo -75.04 165.8 30.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 2.96 110.958 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 61' ' ' PHE . 26.1 m -62.72 -12.32 23.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 3.2599999999999998 110.372 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.93 -24.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 3.48 109.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -128.4 -76.42 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 1.11 . . . . 2.2999999999999998 110.99 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.76 HD21 ' C ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -55.08 118.58 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 2.77 109.313 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.2 t -178.42 43.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 4.0999999999999996 109.976 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 65' ' ' ARG . 3.7 mt -123.07 -72.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 6.2800000000000002 109.202 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -90.73 159.8 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 3.8199999999999998 110.29 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.11 119.91 50.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 3.3199999999999998 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -110.31 -70.13 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 3.73 111.034 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.94 122.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 3.5600000000000001 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.65 58.18 10.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 4.2199999999999998 110.999 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 72' ' ' THR . . . -152.13 -59.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 3.2000000000000002 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.58 -34.39 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 5.96 110.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 70' ' ' ALA . 42.3 p 40.49 41.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 6.6900000000000004 110.401 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -64.61 -10.41 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 8.2699999999999996 110.39 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.89 ' O ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -101.9 -15.61 16.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 13.890000000000001 110.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -118.9 1.91 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 12.09 109.963 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -142.04 -41.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 10.07 110.976 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.758 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -81.77 45.33 3.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.451 1.095 . . . . 9.5999999999999996 111.024 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.89 HD11 ' O ' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -109.69 -54.89 2.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 11.289999999999999 109.276 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.32 -43.89 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 11.550000000000001 109.292 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 16.59 111.022 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.88 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.051 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' A' ' 64' ' ' ILE . 60.2 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.028 -0.36 . . . . 6.0899999999999999 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' SER . 2.3 m-70 -163.27 -170.85 2.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 8.2300000000000004 109.615 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' HIS . 51.6 p 60.38 144.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 2.4500000000000002 110.005 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 56' ' ' ALA . 16.3 m -143.11 40.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 2.6200000000000001 109.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -41.51 158.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 3.7799999999999998 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mm -84.17 93.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 2.0499999999999998 109.311 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.0 m-85 -128.41 162.74 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 3.1099999999999999 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.667 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -90.7 32.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 2.25 109.303 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.684 HG21 HD22 ' A' ' 62' ' ' LEU . 9.1 t -88.3 96.48 10.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 1.4399999999999999 110.442 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' HB3' HD11 ' A' ' 38' ' ' ILE . 4.8 t -154.76 133.75 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.91000000000000003 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 pp -112.12 -22.98 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 1.4199999999999999 109.273 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.39 46.43 0.54 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 1.1399999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.589 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -107.58 158.25 17.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.303 -0.999 . . . . 1.3600000000000001 108.303 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -96.45 54.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 3.2999999999999998 110.471 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.916 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -135.07 146.49 48.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 2.1699999999999999 110.301 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.926 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 83.89 -49.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0800000000000001 108.251 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.958 HG21 ' HB1' ' A' ' 39' ' ' ALA . 91.2 t -92.22 23.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 1.77 109.307 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -59.4 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 3.25 110.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.34 -51.62 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 2.5699999999999998 109.263 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -42.12 113.55 1.23 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 1.3700000000000001 108.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' C ' ' N ' ' A' ' 23' ' ' ASP . 18.5 Cg_endo -75.01 -59.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.562 1.822 . . . . 1.8500000000000001 111.025 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.159 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.8 mp -44.04 -29.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.6100000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 4.1 t0 76.7 48.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 4.2800000000000002 109.368 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 46' ' ' ASP . 66.1 t -78.6 -47.34 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.8600000000000001 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' HG22 ' A' ' 17' ' ' VAL . 3.5 mp -64.46 105.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.03 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' SER . 9.3 mm-40 -120.5 -166.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 2.9399999999999999 110.239 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.0 135.53 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 2.73 111.047 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.41 168.78 13.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.46000000000000002 109.335 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.471 1.774 . . . . 0.64000000000000001 111.018 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.667 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 20.8 t-105 -127.36 -115.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.954 -1.128 . . . . 1.6499999999999999 107.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 166.63 -54.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 2.8999999999999999 109.331 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.85 -15.34 6.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.566 1.166 . . . . 0.78000000000000003 111.013 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.48 155.44 28.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.359 -0.978 . . . . 1.4199999999999999 108.359 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -26.82 63.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 6.1200000000000001 109.28 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.36 15.44 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.96999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 56.15 37.55 72.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.83999999999999997 111.015 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -144.39 122.6 12.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 0.779 . . . . 0.89000000000000001 110.33 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -100.98 137.98 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.66000000000000003 109.261 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.958 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -70.86 111.47 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.52000000000000002 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' GLU . 48.0 m -162.55 170.71 18.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.04 110.039 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.87 127.97 86.17 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 3.1899999999999999 109.989 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.792 . . . . 2.3500000000000001 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 45' ' ' GLU . 99.0 mtt180 -153.42 19.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 4.2999999999999998 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.2 m 42.79 23.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.1799999999999999 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' N ' ' C ' ' A' ' 43' ' ' ARG . 7.9 pt-20 -53.87 -30.58 46.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 4.0300000000000002 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.775 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -101.73 -165.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 3.5600000000000001 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.754 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.5 t 75.83 125.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 1.72 108.307 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.7 p -125.29 35.06 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 3.5800000000000001 109.28 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.38 83.74 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 2.1299999999999999 111.079 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -133.92 157.02 47.07 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.374 -0.973 . . . . 2.8399999999999999 108.374 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -111.86 91.18 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 7.1100000000000003 109.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.673 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 2.2 mmt180 -165.67 53.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 5.3700000000000001 110.216 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.812 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 31.5 p -168.35 40.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 2.29 108.302 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -85.88 58.76 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 3.4700000000000002 110.36 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 15' ' ' GLN . 10.0 t -165.34 46.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 2.1400000000000001 110.412 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -56.98 -73.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 2.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 75.3 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 3.1299999999999999 108.257 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.94 142.16 27.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.46 1.769 . . . . 4.9800000000000004 110.971 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 60' ' ' ASP . 22.5 m 71.77 -55.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 4.4900000000000002 110.355 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -33.18 -44.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 4.96 109.338 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 12.1 m-85 -159.03 -81.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 2.7000000000000002 111.003 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -64.26 136.91 57.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 3.3500000000000001 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m -98.7 33.94 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 4.8700000000000001 109.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' ' OG ' ' A' ' 1' ' ' SER . 2.5 mp 66.56 105.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 9.0899999999999999 109.338 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.02 7.75 43.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 5.2300000000000004 110.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.2 t 59.82 106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 3.48 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CD1' ' HG2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -140.67 -44.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 3.9199999999999999 110.931 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.2 mt -62.28 -52.26 64.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 4.54 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.27 54.36 2.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.52 1.137 . . . . 4.0199999999999996 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.52 -56.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 4.1299999999999999 109.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' C ' HG22 ' A' ' 72' ' ' THR . 11.2 pt-20 -58.55 -157.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 6.9400000000000004 110.294 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.447 HG22 ' C ' ' A' ' 71' ' ' GLU . 3.1 t 42.71 56.37 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 6.54 110.37 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.4 t -174.37 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 6.9199999999999999 110.383 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 -43.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 9.8000000000000007 110.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -94.84 -13.45 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 10.17 110.029 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' SER . 31.2 mtt 35.05 -92.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 10.119999999999999 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -147.92 -40.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 14.32 110.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -96.14 -46.29 6.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 16.129999999999999 109.258 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -43.93 -28.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 13.699999999999999 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 19.039999999999999 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' HG2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.159 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.997 -0.372 . . . . 6.2400000000000002 109.997 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.489 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.1 m80 -105.62 -147.52 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 5.4000000000000004 109.634 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 2' ' ' HIS . 26.1 t -32.34 148.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 5.4699999999999998 109.992 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.745 HG12 ' HB2' ' A' ' 56' ' ' ALA . 33.4 m -98.07 53.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 2.8199999999999998 109.255 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -38.99 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 2.9700000000000002 109.311 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.9 110.86 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 2.1200000000000001 109.265 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 31.0 m-85 -156.72 156.17 32.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 2.2599999999999998 111.034 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.658 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.1 p-10 -92.98 43.25 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 2.5 109.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.633 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.9 t -94.07 93.12 7.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.78000000000000003 110.402 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.2 t -160.37 135.7 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.72999999999999998 108.275 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -109.54 -16.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 1.5 109.344 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.43 -13.11 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 1.98 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.886 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -69.94 162.41 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.299 -1.0 . . . . 1.6699999999999999 108.299 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.768 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 52.6 p -133.53 56.83 1.83 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 3.9100000000000001 110.446 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.867 ' CG ' ' S1 ' ' A' ' 81' ' ' SF4 . 13.6 pt20 -85.55 -40.48 16.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 2.75 110.247 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.627 ' O ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -88.64 22.97 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 108.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 t -125.46 16.43 4.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.1599999999999999 109.314 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 2.4900000000000002 110.259 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' CYS . . . -72.41 95.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 1.6499999999999999 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 34.7 t 179.94 108.88 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.24 108.36 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.2 Cg_endo -74.96 -56.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 1.49 111.006 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.559 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.8 mp -59.02 -25.41 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.5800000000000001 109.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.81 80.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 4.2999999999999998 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB2' ' A' ' 47' ' ' CYS . 16.4 m -110.56 -42.78 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 3.0600000000000001 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.752 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 2.3 mp -62.33 104.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 1.1299999999999999 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.85 -170.06 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 2.1200000000000001 110.289 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -87.17 135.31 33.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.15 . . . . 2.79 110.983 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.5 172.59 5.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.54000000000000004 109.3 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.08 116.79 4.68 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.603 1.844 . . . . 0.57999999999999996 110.935 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.658 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.5 t-105 -140.64 173.45 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 1.1100000000000001 108.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 2.9 t70 -138.75 62.39 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 2.0699999999999998 109.352 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -158.18 -32.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.461 1.1 . . . . 0.69999999999999996 111.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.38 167.93 20.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.327 -0.99 . . . . 0.97999999999999998 108.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -27.67 68.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 3.1899999999999999 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.87 29.57 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.76000000000000001 109.328 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.17 51.8 2.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.64000000000000001 110.991 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.9 120.45 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.78000000000000003 110.349 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -95.39 135.23 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.439 1.087 . . . . 0.64000000000000001 109.288 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.09 102.74 5.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.52000000000000002 109.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -142.38 -175.07 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.87 110.002 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.75 95.14 31.85 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 2.3100000000000001 109.969 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -57.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 1.5700000000000001 110.979 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.08 79.11 3.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 2.9300000000000002 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -87.87 31.06 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 1.03 110.409 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -57.38 -22.26 41.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 3.0099999999999998 110.286 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.1 m-20 -137.46 107.55 6.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 3.6699999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.722 ' HB2' HG11 ' A' ' 24' ' ' VAL . 0.8 OUTLIER 164.36 92.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 2.4199999999999999 108.278 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.4 m -94.68 52.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 3.8700000000000001 109.35 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.1 58.43 6.34 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.102 . . . . 2.7200000000000002 110.981 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.834 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.5 OUTLIER -78.1 146.42 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.996 . . . . 2.1800000000000002 108.312 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -62.12 98.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 5.96 109.297 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.896 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.8 OUTLIER 169.51 71.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.9699999999999998 110.28 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' THR . 0.6 OUTLIER 173.97 -82.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 2.6600000000000001 108.256 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . 14.2 pt-20 37.11 32.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 3.8999999999999999 110.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -116.0 -75.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 3.3900000000000001 110.469 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.895 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 55.2 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 2.2400000000000002 109.269 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 179.95 160.99 0.85 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.8400000000000001 108.252 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 -167.05 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.559 1.82 . . . . 3.3999999999999999 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 63' ' ' SER . 26.9 m -76.08 -11.2 59.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.182 . . . . 3.71 110.414 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.95 -25.33 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 3.1600000000000001 109.274 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB3' ' CB ' ' A' ' 9' ' ' THR . 0.2 OUTLIER -145.0 -65.43 0.33 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.501 1.126 . . . . 2.8500000000000001 110.93 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 9' ' ' THR . 0.2 OUTLIER -80.93 122.87 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 3.79 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.57 ' CB ' HG23 ' A' ' 59' ' ' THR . 43.7 p -166.04 40.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 3.5099999999999998 110.028 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.45 HG22 ' HD3' ' A' ' 65' ' ' ARG . 3.9 mt -120.77 -94.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 5.8600000000000003 109.271 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' ' OH ' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -85.43 122.58 29.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 4.3899999999999997 110.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.574 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 19.3 m -146.63 134.21 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 6.0499999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 3.6 m-85 -155.2 119.73 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 5.5999999999999996 111.035 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 68' ' ' LEU . 7.7 mt -81.97 61.94 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 4.79 109.286 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . 37.74 59.93 1.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 7.1200000000000001 111.024 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.95 -50.64 2.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 5.2599999999999998 109.272 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' HG3' HG22 ' A' ' 73' ' ' THR . 1.5 tp10 -101.28 -66.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 8.3300000000000001 110.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p 44.93 52.48 8.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 7.96 110.437 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 71' ' ' GLU . 5.7 t -144.04 -45.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 9.6199999999999992 110.387 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -103.37 -20.2 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 11.51 110.258 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 p -109.38 -6.14 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 12.49 109.992 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -49.54 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 14.08 110.985 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.711 ' C ' HD23 ' A' ' 78' ' ' LEU . . . 140.47 42.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 17.41 110.956 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 77' ' ' GLY . 1.7 mt -110.18 -68.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 18.039999999999999 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -85.62 -38.91 17.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 18.309999999999999 109.251 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 20.609999999999999 111.035 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.895 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.896 ' S1 ' ' O ' ' A' ' 52' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.047 -0.353 . . . . 6.71 110.047 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 76.82 162.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 5.5800000000000001 109.644 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p 67.08 160.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 2.27 109.99 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 5' ' ' LYS . 53.5 t -136.67 -47.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 2.6000000000000001 109.267 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tttt 41.19 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.062 . . . . 4.2199999999999998 109.233 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -115.65 73.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.99 109.281 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.436 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 33.2 m-85 -106.23 163.03 13.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 2.3799999999999999 111.008 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.636 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.7 p-10 -87.6 43.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.413 1.071 . . . . 2.0699999999999998 109.283 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.749 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.8 t -85.83 95.2 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.02 110.334 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 4.6 t -163.04 116.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 1.01 108.265 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.051 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -102.12 -19.85 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 1.75 109.297 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.99 51.77 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.578 1.174 . . . . 1.3200000000000001 111.063 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.57 171.83 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 1.3 108.314 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.406 ' O ' ' OG1' ' A' ' 14' ' ' THR . 8.0 p -111.35 70.98 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 2.8399999999999999 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.5 OUTLIER -159.25 146.64 17.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 2.0600000000000001 110.274 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.668 ' O ' HD11 ' A' ' 25' ' ' LEU . 0.4 OUTLIER 85.64 -49.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.89000000000000001 108.28 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.616 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 4.0 t -78.61 -16.61 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.22 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.44 -49.69 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 2.8100000000000001 110.351 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -44.95 -61.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 2.6200000000000001 109.313 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.457 ' SG ' HG23 ' A' ' 24' ' ' VAL . 52.0 t -40.31 100.55 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.072 . . . . 1.4299999999999999 108.247 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -32.74 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.456 1.766 . . . . 1.8700000000000001 111.021 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -65.99 -20.94 66.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 1.5800000000000001 109.306 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 68.69 53.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 3.8100000000000001 109.336 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.679 HG21 ' S3 ' ' A' ' 82' ' ' SF4 . 17.6 t -84.92 -74.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 1.95 109.332 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -62.49 122.5 15.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 2.6299999999999999 109.286 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' SER . 4.4 mm-40 -125.01 -168.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 2.9199999999999999 110.321 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.15 131.54 35.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 2.9700000000000002 111.029 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.17 174.17 4.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.48999999999999999 109.275 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.99 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.62 110.973 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 59.8 t-105 -134.86 173.88 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 1.1699999999999999 107.962 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.1 t0 -138.01 61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.288 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.72 -34.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.148 . . . . 0.72999999999999998 110.955 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 166.78 23.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 1.1000000000000001 108.27 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -26.64 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 3.4300000000000002 109.294 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.9 20.79 17.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.67000000000000004 109.259 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.3 51.7 4.4 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.56 1.162 . . . . 0.56999999999999995 110.993 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -148.81 120.15 7.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 0.816 . . . . 0.56000000000000005 110.307 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -100.4 139.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.311 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.06 108.89 15.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.64000000000000001 109.283 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -139.77 -178.89 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.2999999999999998 110.017 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -119.47 86.14 33.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 1.95 110.013 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -60.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 2.3399999999999999 110.995 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -95.26 79.87 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 3.8799999999999999 110.25 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.563 HG23 HG11 ' A' ' 24' ' ' VAL . 90.5 m -86.26 35.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.1000000000000001 110.42 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.37 -22.02 64.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 3.1899999999999999 110.321 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -124.73 121.33 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 3.3300000000000001 109.324 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 168.1 105.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.74 108.31 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' GLY . 11.4 p -90.63 40.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 3.8599999999999999 109.251 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.705 ' HA2' ' S4 ' ' A' ' 82' ' ' SF4 . . . 35.53 80.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.5 1.125 . . . . 1.6100000000000001 110.99 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.8 p -69.64 -156.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.345 -0.983 . . . . 2.25 108.345 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -40.43 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 8.8200000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.64 147.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 9.7699999999999996 110.228 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.581 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 5.9 p -127.04 17.16 7.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 2.9199999999999999 108.318 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 pt-20 -56.72 -21.67 29.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 4.3899999999999997 110.327 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -60.25 -16.41 33.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 2.8500000000000001 110.432 179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 57' ' ' CYS . . . -39.88 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 2.2999999999999998 109.309 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.73 ' N ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER 63.01 135.64 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.55 108.244 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.93 53.67 3.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.527 1.804 . . . . 2.4300000000000002 111.043 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 60' ' ' ASP . 3.0 m 65.59 -154.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 3.1499999999999999 110.392 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' H ' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER 83.2 -46.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 3.7799999999999998 109.309 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.63 -54.38 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 2.3399999999999999 110.98 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.67 127.35 20.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 2.8199999999999998 109.264 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.8 m -91.58 23.3 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 4.2800000000000002 110.042 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp 41.34 74.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 6.4299999999999997 109.315 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -5.96 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 4.8300000000000001 110.188 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t 57.13 91.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 3.4100000000000001 109.319 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -48.75 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 4.1500000000000004 111.034 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 46.3 mt -42.92 -55.95 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 4.46 109.313 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' HA2' ' CB ' ' A' ' 73' ' ' THR . . . -88.67 63.06 3.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.561 1.163 . . . . 4.7300000000000004 111.021 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.7 -52.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 5.3799999999999999 109.231 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -38.89 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 8.1199999999999992 110.248 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -144.71 41.21 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 8.3800000000000008 110.435 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -94.29 -58.53 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 8.5 110.338 -179.931 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER -95.56 -25.38 16.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 11.220000000000001 110.298 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -90.24 -16.94 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 7.7599999999999998 109.981 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 50.37 -85.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 9.8599999999999994 110.991 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . -153.36 -41.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.421 1.075 . . . . 10.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.008 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -103.09 -41.59 6.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.795 . . . . 10.74 109.355 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 75' ' ' SER . . . -38.24 -32.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 10.75 109.28 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 1.3 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 14.77 110.999 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 1.051 ' S3 ' HD13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.705 ' S4 ' ' HA2' ' A' ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 68' ' ' LEU . 5.0 p . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.038 -0.356 . . . . 5.7800000000000002 110.038 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' C ' ' O ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -33.98 119.19 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 8.0099999999999998 109.602 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p 41.04 -155.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 2.77 110.092 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' LYS . 8.6 p -175.44 -39.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 3.4900000000000002 109.27 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' VAL . 7.6 tttt 41.82 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 3.6200000000000001 109.246 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 6' ' ' ILE . 4.7 mp -106.12 60.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 1.9199999999999999 109.319 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.36 171.71 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 2.3599999999999999 111.078 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.628 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 5.4 p-10 -84.87 45.39 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 2.2400000000000002 109.342 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.583 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.4 t -86.99 93.22 9.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.26 110.392 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 6.3 t -158.85 143.51 15.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.81000000000000005 108.306 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.7 pp -117.13 -36.64 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 1.3600000000000001 109.319 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.42 -22.35 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 2.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.668 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -58.5 172.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 1.3500000000000001 108.301 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.454 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.9 t -108.05 -26.25 10.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 3.52 110.409 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.879 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 1.2 pt20 -37.89 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 2.1200000000000001 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER 85.96 -48.62 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 1.1100000000000001 108.338 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' SG ' ' A' ' 16' ' ' CYS . 8.0 t -77.82 -6.18 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.1799999999999999 109.252 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -52.84 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 3.2999999999999998 110.331 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' CYS . . . -39.98 -55.58 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 2.6499999999999999 109.219 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' ALA . 38.1 t -41.61 113.62 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.1599999999999999 108.308 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.474 1.776 . . . . 1.6599999999999999 110.982 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' CD1' ' S3 ' ' A' ' 82' ' ' SF4 . 1.0 OUTLIER -43.52 -91.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 2.3700000000000001 109.329 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.22 52.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 4.8899999999999997 109.276 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 25' ' ' LEU . 11.0 t -109.29 172.63 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.193 . . . . 3.2200000000000002 109.312 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' H ' HG12 ' A' ' 24' ' ' VAL . 1.5 mp 68.26 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 40' ' ' SER . 8.6 mt-10 -109.07 -160.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 3.3199999999999998 110.259 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -93.18 135.13 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 2.75 111.053 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 38' ' ' ILE . 15.1 m -130.86 163.41 49.07 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.81999999999999995 109.336 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 113.68 3.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.83999999999999997 111.019 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.628 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 61.0 t-105 -130.03 173.62 10.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 1.1399999999999999 108.025 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 8.4 t0 -139.29 61.5 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 2.3399999999999999 109.23 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.24 -33.07 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.437 1.085 . . . . 0.81999999999999995 110.969 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 167.31 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.29 -1.004 . . . . 1.0600000000000001 108.29 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -25.93 68.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 3.9500000000000002 109.255 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 20.96 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.87 109.299 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.29 50.59 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.444 1.09 . . . . 0.79000000000000004 110.989 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.1 120.69 8.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 0.75 . . . . 0.66000000000000003 110.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.019 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -97.41 148.06 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.56000000000000005 109.281 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.98 108.54 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.5 109.285 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.3 m -140.73 -175.98 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 1.0700000000000001 109.969 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 11.1 t -114.7 90.57 22.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 2.3199999999999998 109.981 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.536 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.425 1.75 . . . . 1.6000000000000001 111.036 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? -90.35 81.54 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 3.5699999999999998 110.238 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 m -85.73 32.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 1.0600000000000001 110.416 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.35 -17.58 54.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 2.79 110.318 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t0 -111.5 -152.45 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 3.5299999999999998 109.344 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' HG21 ' A' ' 24' ' ' VAL . 35.7 t 69.49 128.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 1.3799999999999999 108.28 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 48' ' ' VAL . 7.9 p -129.64 55.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 2.9700000000000002 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.07 64.3 3.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.52 111.047 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.716 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -101.19 120.28 39.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.327 -0.99 . . . . 2.3199999999999998 108.327 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -72.36 87.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 8.0099999999999998 109.317 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.529 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 15.9 mmt180 -137.34 -45.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 5.6799999999999997 110.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p -78.19 56.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 2.1800000000000002 108.311 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -91.64 38.89 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 4.4199999999999999 110.346 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -139.8 -51.27 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 2.7999999999999998 110.418 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.916 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 52.96 -109.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 2.9300000000000002 109.302 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.75 156.25 74.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.3300000000000001 108.331 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 55.29 3.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 2.5699999999999998 110.954 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.549 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER 65.64 -148.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 3.27 110.403 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 59' ' ' THR . 2.5 t0 85.53 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 3.6000000000000001 109.258 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 88.4 m-85 -127.0 -71.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 3.0099999999999998 110.983 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 1' ' ' SER . 1.7 pp -52.82 118.2 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 2.6600000000000001 109.29 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.08 41.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 4.5499999999999998 110.031 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.0 -61.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 6.0300000000000002 109.277 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -88.1 169.99 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 5.1699999999999999 110.355 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -133.4 100.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 3.3100000000000001 109.292 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.29 -65.2 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 3.5600000000000001 111.042 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 1' ' ' SER . 93.3 mt -45.08 117.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.8300000000000001 109.359 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.92 62.95 2.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 3.96 110.976 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' C ' ' N ' ' A' ' 72' ' ' THR . . . -173.8 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 3.0499999999999998 109.268 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.47 -24.49 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 7.2199999999999998 110.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 3.5 p -83.81 36.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 5.9400000000000004 110.413 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 m -126.34 -41.28 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 7.1399999999999997 110.396 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.715 ' O ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.42 -34.56 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 11.17 110.291 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.417 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 15.4 t -87.22 2.82 48.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 8.0199999999999996 110.021 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.487 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -92.28 -16.8 25.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 9.5600000000000005 111.023 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.743 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -96.81 19.58 54.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 9.9100000000000001 111.045 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.83 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -99.55 -48.49 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 10.789999999999999 109.319 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -138.93 -55.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 13.02 109.286 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 76' ' ' MET . 69.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 14.23 110.972 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.916 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.716 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.952 -0.388 . . . . 6.46 109.952 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' SER . 14.5 m-70 -47.28 136.4 9.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 5.9199999999999999 109.575 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' HIS . 0.0 OUTLIER 56.87 161.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 3.1299999999999999 109.957 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -176.44 37.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 2.25 109.23 -179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -74.46 -166.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 3.04 109.278 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 41' ' ' SER . 3.0 mp -87.0 89.39 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 2.0099999999999998 109.314 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 5' ' ' LYS . 28.2 m-85 -120.72 152.1 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 2.98 111.016 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 6.8 p-10 -86.21 44.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 2.04 109.268 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.702 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 9.7 t -97.69 90.72 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.1000000000000001 110.386 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -158.91 125.88 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 1.03 108.243 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.86 HD13 ' S3 ' ' A' ' 81' ' ' SF4 . 0.2 OUTLIER -98.53 2.21 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.46 109.336 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.78 0.77 24.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 1.98 110.968 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.912 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -84.88 155.23 21.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.293 -1.003 . . . . 1.8300000000000001 108.293 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.753 ' HA ' ' S4 ' ' A' ' 81' ' ' SF4 . 35.7 p -128.82 64.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 4.3300000000000001 110.375 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.886 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 16.5 pt20 -96.9 -44.37 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.6899999999999999 110.305 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' O ' HD22 ' A' ' 25' ' ' LEU . 7.8 p -89.18 23.64 2.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 1.27 108.354 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.524 HG23 ' S4 ' ' A' ' 81' ' ' SF4 . 2.8 t -122.82 19.03 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.075 . . . . 1.04 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -45.09 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 2.7400000000000002 110.33 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.56 84.46 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.8200000000000001 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 21.5 t -178.48 100.14 0.21 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 1.04 108.248 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.96 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.76 . . . . 1.55 110.946 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.892 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 1.7 mp -59.47 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.14 . . . . 1.5900000000000001 109.284 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.36 77.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 4.2999999999999998 109.341 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' S2 ' ' A' ' 82' ' ' SF4 . 41.6 t -112.82 -82.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 1.95 109.304 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.0 OUTLIER -54.39 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.1200000000000001 109.272 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' VAL . 22.2 mm-40 -119.54 -171.56 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 3.3700000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.02 131.52 35.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 2.5800000000000001 110.999 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.778 HG12 ' HG3' ' A' ' 42' ' ' PRO . 1.1 m -125.17 170.75 8.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.45000000000000001 109.356 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.803 . . . . 0.64000000000000001 110.992 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.625 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.15 173.77 11.35 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 1.3300000000000001 107.958 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 3.7 t70 -140.43 61.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 2.0699999999999998 109.245 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.73 -32.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.72999999999999998 111.036 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 169.92 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.315 -0.994 . . . . 1.05 108.315 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -24.86 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 3.6800000000000002 109.287 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.66 23.48 13.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.94999999999999996 109.282 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 39.88 50.81 3.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 111.018 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -149.89 120.24 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.78000000000000003 110.285 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.628 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -95.58 145.83 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.5 109.264 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.64 100.71 10.35 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.54 1.15 . . . . 0.69999999999999996 109.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HB2' HG11 ' A' ' 28' ' ' VAL . 62.6 m -135.5 -172.82 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.96999999999999997 110.048 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.513 ' OG ' HG12 ' A' ' 24' ' ' VAL . 22.0 m -115.16 87.67 16.34 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.518 1.136 . . . . 1.8899999999999999 110.02 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' HG12 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.03 -56.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.773 . . . . 1.6100000000000001 110.996 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -92.63 80.68 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.188 . . . . 2.8399999999999999 110.341 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 46' ' ' ASP . 21.4 m -78.89 5.5 11.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 1.23 110.421 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.73 -32.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 2.4100000000000001 110.334 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -95.33 -166.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 2.7799999999999998 109.295 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 29.1 t 78.54 113.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 1.3600000000000001 108.364 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 p -117.35 41.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 3.3199999999999998 109.356 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.35 84.4 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.426 1.079 . . . . 1.71 110.995 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.935 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -137.87 115.07 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.331 -0.989 . . . . 2.3700000000000001 108.331 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' CYS . 30.2 mttt -42.94 -94.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 6.0300000000000002 109.354 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 50.94 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 5.8099999999999996 110.284 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.6 p -44.42 96.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 2.3100000000000001 108.263 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -139.86 59.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 3.0600000000000001 110.322 179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.8 t -165.7 36.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 2.6800000000000002 110.378 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.43 -179.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 3.52 109.319 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.423 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.39 174.39 5.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 1.24 108.259 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -74.96 -175.29 2.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 2.9900000000000002 110.999 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.5 m -75.87 -8.88 57.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 3.52 110.426 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -23.09 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 3.7599999999999998 109.304 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.39 -54.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.5 1.125 . . . . 2.6099999999999999 110.985 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 2.3 mt -56.87 -167.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 2.71 109.265 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 t 68.58 68.28 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 5.2699999999999996 109.988 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 65' ' ' ARG . 7.5 tt -137.9 -50.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 6.2699999999999996 109.239 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.4 mmt85 -135.66 87.0 2.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 3.9199999999999999 110.289 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -41.35 137.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 3.23 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.84 -49.3 0.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 3.9100000000000001 110.95 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.06 -59.49 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 3.4100000000000001 109.345 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.91 60.19 4.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.451 1.094 . . . . 4.2999999999999998 110.981 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 72' ' ' THR . . . -123.13 -43.62 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 3.8799999999999999 109.301 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 4.9 pm0 -63.82 119.97 11.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 8.2200000000000006 110.319 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.696 ' O ' HG22 ' A' ' 73' ' ' THR . 2.1 t -178.07 56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 9.3200000000000003 110.436 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 72' ' ' THR . 0.6 OUTLIER 87.4 -26.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 10.58 110.42 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' HD2' HG23 ' A' ' 72' ' ' THR . 0.2 OUTLIER -82.09 -39.37 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 12.779999999999999 110.287 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -146.01 24.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 7.2599999999999998 110.043 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -64.97 -40.82 95.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 11.859999999999999 110.951 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.99 43.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.539999999999999 110.979 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -93.65 -39.84 10.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 11.279999999999999 109.285 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -151.75 -51.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 9.8599999999999994 109.282 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 14.35 110.984 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.912 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.935 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.042 -0.355 . . . . 6.5899999999999999 110.042 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.909 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.7 p-80 176.48 163.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 6.29 109.605 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' HIS . 53.9 p 59.55 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 2.4399999999999999 109.978 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -151.28 36.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 2.6499999999999999 109.303 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 67' ' ' TYR . 1.2 mmmt -59.91 175.1 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 2.9100000000000001 109.344 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.38 74.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.4 1.062 . . . . 2.1800000000000002 109.249 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -119.86 166.19 13.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 2.3199999999999998 110.955 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.638 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 p-10 -87.17 43.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 2.0600000000000001 109.301 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.897 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 0.1 OUTLIER -86.08 92.82 8.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 1.46 110.432 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.501 ' CB ' HG13 ' A' ' 38' ' ' ILE . 4.4 t -162.01 141.01 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.93999999999999995 108.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.684 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 1.8 pp -111.47 -16.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.3700000000000001 109.299 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.62 31.75 1.74 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.576 1.173 . . . . 1.3999999999999999 111.012 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.706 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -115.26 174.99 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.301 -0.999 . . . . 1.47 108.301 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 36.0 p -136.73 77.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 3.7799999999999998 110.441 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -123.95 -44.9 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 2.9500000000000002 110.294 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 25' ' ' LEU . 1.8 p -83.27 14.82 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 1.03 108.272 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' CG1' ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -114.51 -0.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 2.3999999999999999 109.365 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 -47.82 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.6699999999999999 110.25 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.81 -58.5 3.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 2.3399999999999999 109.362 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 25' ' ' LEU . 34.5 t -51.12 117.41 8.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 1.4199999999999999 108.297 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.498 1.788 . . . . 1.9199999999999999 110.952 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.828 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 4.6 mp -41.12 -88.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 1.9399999999999999 109.279 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.3 p30 154.55 52.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.137 . . . . 4.4199999999999999 109.266 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.928 HG21 ' HB2' ' A' ' 47' ' ' CYS . 42.2 t -87.15 -60.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.9099999999999999 109.285 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 16' ' ' CYS . 1.1 mp -62.98 78.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.1699999999999999 109.324 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' VAL . 14.1 mt-10 -110.03 171.95 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 2.5800000000000001 110.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -66.37 136.11 55.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 5.9199999999999999 110.976 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -130.96 170.74 10.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.59999999999999998 109.291 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -74.96 112.71 3.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.567 1.825 . . . . 0.73999999999999999 111.037 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.638 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.1 t-105 -132.95 174.82 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.981 -1.118 . . . . 1.1100000000000001 107.981 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -140.64 58.86 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.595 1.185 . . . . 2.0099999999999998 109.318 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.75 -35.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.71999999999999997 110.945 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.63 165.95 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.296 -1.001 . . . . 0.91000000000000003 108.296 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -26.47 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 3.7599999999999998 109.28 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.5 17.79 19.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.63 109.237 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 44.62 53.79 6.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.54000000000000004 110.994 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.09 119.09 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.57999999999999996 110.346 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.708 HG22 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.02 142.49 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.67000000000000004 109.293 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.53 ' HB1' ' CG1' ' A' ' 17' ' ' VAL . . . -84.54 104.54 14.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.63 109.391 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.52 -173.92 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.6399999999999999 109.986 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' OG ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 m -71.8 122.91 88.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 1.8 109.997 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 2.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' C ' ' N ' ' A' ' 45' ' ' GLU . 84.2 mtt85 -148.17 17.07 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 4.0700000000000003 110.323 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 44' ' ' THR . 90.0 m 42.42 23.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 1.49 110.418 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 43' ' ' ARG . 6.7 pt-20 -50.98 -32.13 20.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 3.29 110.327 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -103.52 -166.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 3.29 109.283 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.928 ' HB2' HG21 ' A' ' 24' ' ' VAL . 29.3 t 76.72 133.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.3100000000000001 108.289 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' VAL . 11.6 p -154.81 43.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 3.3399999999999999 109.232 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.54 80.54 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.409 1.068 . . . . 1.8899999999999999 111.022 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -140.61 112.2 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.289 -1.004 . . . . 2.2799999999999998 108.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -76.8 89.72 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 5.96 109.307 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.87 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -163.76 61.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 5.2000000000000002 110.32 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.712 ' HB3' ' S1 ' ' A' ' 82' ' ' SF4 . 9.9 p -168.75 46.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.9299999999999999 108.322 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.85 47.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 5.1399999999999997 110.298 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 12.5 t -154.35 23.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.402 1.064 . . . . 2.6499999999999999 110.406 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -49.03 -44.03 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 2.2000000000000002 109.318 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 59' ' ' THR . 0.0 OUTLIER 168.93 158.42 0.17 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 1.6899999999999999 108.354 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 40.83 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 2.4300000000000002 111.066 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.509 ' HA ' HD23 ' A' ' 62' ' ' LEU . 7.2 m 74.18 -1.28 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 2.9199999999999999 110.399 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.41 -34.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 4.1900000000000004 109.351 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 60.8 m-85 -136.83 -94.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 3.0299999999999998 111.08 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 62' ' ' LEU . 1.4 mm? 34.98 -133.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 3.1800000000000002 109.266 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 61.39 -166.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 3.6600000000000001 110.026 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.5 mt 65.22 -77.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 6.5 109.269 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -110.49 149.6 30.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 5.5800000000000001 110.295 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.35 129.06 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 3.48 109.294 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 5' ' ' LYS . 4.3 m-85 -114.49 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 4.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 2' ' ' HIS . 31.8 mt -41.23 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 3.04 109.291 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.33 54.49 23.57 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.557 1.16 . . . . 3.6499999999999999 111.015 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 67' ' ' TYR . . . -174.66 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 3.9100000000000001 109.296 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -46.53 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 6.4699999999999998 110.288 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -103.22 28.69 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 7.6500000000000004 110.415 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 70' ' ' ALA . 90.4 m -78.09 -60.77 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 9.25 110.389 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 80' ' ' TYR . 2.4 ptt-85 -77.58 -16.91 58.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 9.3599999999999994 110.292 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.97 22.32 15.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 9.3599999999999994 109.995 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -52.68 38.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 13.859999999999999 110.987 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.45 31.39 1.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.115 . . . . 14.92 111.022 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 78' ' ' LEU . 5.9 mt -96.2 -48.33 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.74 . . . . 17.210000000000001 109.246 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.61 -49.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 15.970000000000001 109.296 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' ARG . 57.9 m-85 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 17.289999999999999 111.055 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.897 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.902 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.046 -0.353 . . . . 6.1799999999999997 110.046 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.464 ' CD2' ' H ' ' A' ' 3' ' ' SER . 10.5 t-160 -121.98 163.19 19.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 7.0999999999999996 109.582 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.464 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 43.1 p 55.52 166.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 2.23 109.964 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 68' ' ' LEU . 10.4 p -173.64 47.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.17 . . . . 2.2000000000000002 109.34 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -66.87 179.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 3.0099999999999998 109.267 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.5 101.6 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 2.1099999999999999 109.301 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 5' ' ' LYS . 24.5 m-85 -133.53 149.81 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 2.7999999999999998 111.037 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.711 ' CB ' ' CZ3' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -89.69 40.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 2.8900000000000001 109.332 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.812 HG21 HD23 ' A' ' 62' ' ' LEU . 10.0 t -95.72 95.74 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 1.54 110.495 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 9.2 t -154.96 133.76 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.97999999999999998 108.342 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 pp -101.91 -16.27 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 1.9099999999999999 109.291 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.56 33.36 1.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 1.4399999999999999 110.961 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.751 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -109.58 170.33 8.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.345 -0.984 . . . . 1.49 108.345 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 64.7 p -133.57 81.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 3.4500000000000002 110.413 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 12.3 pt20 -124.52 -45.35 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 2.71 110.272 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.776 ' O ' HD22 ' A' ' 25' ' ' LEU . 5.8 p -87.33 20.4 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 1.1699999999999999 108.35 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 25' ' ' LEU . 2.9 t -125.55 8.08 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.91000000000000003 109.29 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 -52.35 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 4.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.41 86.88 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 2.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 48.2 t -171.68 92.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.47 108.22 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.3 Cg_endo -75.06 47.27 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 3.6400000000000001 110.979 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 0.7 OUTLIER -148.33 -107.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 1.73 109.278 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -170.71 38.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 5.3099999999999996 109.301 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG21 ' HB2' ' A' ' 47' ' ' CYS . 6.8 t -102.12 167.13 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 3.25 109.329 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 16' ' ' CYS . 1.1 mt 66.11 71.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 1.04 109.283 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.58 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 2.5600000000000001 110.35 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.74 130.54 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 3.46 111.002 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -126.46 170.12 10.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.46000000000000002 109.321 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 116.79 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.60999999999999999 111.043 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.711 ' CZ3' ' CB ' ' A' ' 8' ' ' ASP . 59.1 t-105 -135.37 173.56 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.22 107.991 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.7 t0 -138.77 61.03 1.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.7 109.275 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.99 -34.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.85999999999999999 111.017 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 169.75 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.311 -0.996 . . . . 1.1000000000000001 108.311 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -27.76 69.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 3.5499999999999998 109.323 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -110.02 20.01 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.78000000000000003 109.314 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 42.9 51.93 5.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.67000000000000004 110.992 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 120.23 7.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.54000000000000004 110.242 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -94.21 143.61 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.48999999999999999 109.336 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.64 102.74 10.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.5 1.125 . . . . 0.5 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -154.66 -179.65 8.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.01 110.053 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 p -73.62 131.03 82.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 3.3199999999999998 109.987 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 2.23 110.998 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLU . 2.5 mtp180 -137.12 9.04 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 3.7599999999999998 110.374 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 86.0 m 53.06 15.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 1.6799999999999999 110.444 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' ARG . 8.7 pt-20 -50.05 -32.44 15.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 3.6899999999999999 110.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.596 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.19 -167.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 3.79 109.276 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.817 ' HB2' HG21 ' A' ' 24' ' ' VAL . 38.4 t 82.49 96.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.77 108.24 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.4 m -108.73 33.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 3.9700000000000002 109.271 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 79.13 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.121 . . . . 1.3300000000000001 110.972 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 1.8 p -106.01 -31.74 8.62 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.332 -0.988 . . . . 2.8900000000000001 108.332 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.41 63.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 7.7699999999999996 109.328 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -120.84 -45.19 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 4.6299999999999999 110.279 -179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.484 ' O ' HG22 ' A' ' 55' ' ' THR . 0.8 OUTLIER -42.51 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 2.8100000000000001 108.301 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 38.79 29.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 4.3899999999999997 110.291 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -145.73 31.02 1.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.478 1.111 . . . . 1.95 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.93 78.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 2.9500000000000002 109.278 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.558 ' HA ' ' S1 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER 57.23 175.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 1.7 108.267 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' THR . 18.2 Cg_endo -75.01 -0.14 9.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 2.4399999999999999 110.966 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 58' ' ' PRO . 3.9 m 79.02 -4.95 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 4.2699999999999996 110.374 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.76 -22.76 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 4.2300000000000004 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' A' ' 59' ' ' THR . 85.1 m-85 -114.8 -70.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 3.7000000000000002 110.978 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 9' ' ' THR . 1.0 OUTLIER -74.55 108.32 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 2.6600000000000001 109.273 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 64' ' ' ILE . 7.7 p -63.59 -99.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 4.6299999999999999 109.993 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 63' ' ' SER . 1.2 pp -159.81 99.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 8.0399999999999991 109.282 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -88.91 18.35 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 5.25 110.296 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' C ' ' A' ' 65' ' ' ARG . 2.1 p 41.49 90.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 5.04 109.299 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -132.37 -52.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 4.3899999999999997 111.02 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD22 HG12 ' A' ' 4' ' ' VAL . 1.4 mm? -40.62 104.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.38 1.05 . . . . 3.3999999999999999 109.281 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.77 76.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 5.4000000000000004 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.82 -44.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 4.4900000000000002 109.265 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -100.18 -50.96 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 7.3399999999999999 110.234 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 p -84.16 11.89 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 10.58 110.382 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.471 HG23 ' HD2' ' A' ' 74' ' ' ARG . 6.6 t -98.68 -28.98 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 7.5800000000000001 110.371 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD2' HG23 ' A' ' 73' ' ' THR . 0.2 OUTLIER -114.59 -31.03 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 11.85 110.354 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.1 OUTLIER -103.74 -6.25 21.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.359999999999999 110.027 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' A' ' 75' ' ' SER . 1.5 ttt 63.18 -65.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 14.42 111.021 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 169.63 -30.44 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 15.630000000000001 110.957 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.961 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -100.62 -44.7 5.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.764 . . . . 17.02 109.366 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 75' ' ' SER . . . -40.53 -30.98 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 13.369999999999999 109.326 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 19.920000000000002 110.971 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.751 ' S4 ' ' O ' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.768 ' S3 ' HD13 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.839 ' H3 ' HD11 ' A' ' 62' ' ' LEU . 16.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.03 -0.359 . . . . 6.79 110.03 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 p-80 -163.01 174.01 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 6.2699999999999996 109.563 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p 60.51 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 2.0800000000000001 109.99 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 56' ' ' ALA . 20.3 m -138.89 43.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.8199999999999998 109.283 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 3.46 109.305 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 41' ' ' SER . 21.0 mm -96.49 75.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 2.1600000000000001 109.294 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 40.2 m-85 -114.25 162.46 16.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 2.3999999999999999 110.963 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.687 ' CB ' ' CH2' ' A' ' 30' ' ' TRP . 3.2 p-10 -86.72 43.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 2.3599999999999999 109.358 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.895 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 1.5 t -90.36 91.8 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.84999999999999998 110.389 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' HD11 ' A' ' 38' ' ' ILE . 6.7 t -157.57 138.85 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.71999999999999997 108.335 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.663 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -111.86 -18.73 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.3799999999999999 109.3 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.86 32.42 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 111.035 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.56 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -111.22 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.001 . . . . 1.3200000000000001 108.296 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 14' ' ' THR . 6.5 t -132.78 71.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 3.23 110.444 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.945 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -114.37 -50.08 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 2.9199999999999999 110.273 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 15' ' ' GLN . 8.7 p -84.24 14.17 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 108.224 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 17' ' ' VAL . 22.6 t -125.06 9.0 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.95999999999999996 109.31 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.27 -48.59 2.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 2.9100000000000001 110.288 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.666 ' O ' ' S1 ' ' A' ' 82' ' ' SF4 . . . -75.1 68.84 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 1.75 109.281 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.652 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.1 t -157.54 99.81 1.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.1200000000000001 108.304 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -44.08 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 1.51 111.067 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.201 HD12 ' S3 ' ' A' ' 82' ' ' SF4 . 4.9 mt -65.18 -11.89 45.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 1.8300000000000001 109.367 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.59 84.48 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 3.8300000000000001 109.306 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 12.3 t -118.29 -72.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 1.8799999999999999 109.314 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -43.87 97.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.98999999999999999 109.308 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.4 mm-40 -118.31 -170.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 2.4100000000000001 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.05 130.88 35.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 3.1800000000000002 111.012 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.09 172.32 4.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.51000000000000001 109.249 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 111.09 3.24 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.517 1.799 . . . . 0.60999999999999999 111.015 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.687 ' CH2' ' CB ' ' A' ' 8' ' ' ASP . 58.2 t-105 -132.92 174.03 10.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 1.0700000000000001 108.007 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 12.8 t0 -139.93 60.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.79 109.294 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.23 -34.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.68999999999999995 111.016 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 168.11 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.307 -0.998 . . . . 1.01 108.307 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -25.85 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 4.9199999999999999 109.281 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -114.39 24.17 12.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.63 109.344 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 41.44 51.6 4.54 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.461 1.101 . . . . 0.55000000000000004 111.013 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -149.71 119.88 7.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.445 0.733 . . . . 0.55000000000000004 110.258 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.683 HG22 HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -97.38 135.53 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.5 109.315 179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 17' ' ' VAL . . . -73.68 106.29 5.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.48999999999999999 109.324 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -150.04 179.92 7.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.933 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.677 ' O ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -84.56 129.77 56.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 2.3599999999999999 109.977 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -56.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.448 1.762 . . . . 2.0899999999999999 111.007 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -131.86 -34.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 4.0300000000000002 110.257 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 44' ' ' THR . 2.6 m 63.17 11.53 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 1.6000000000000001 110.388 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -49.83 -22.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 3.1800000000000002 110.368 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -121.32 94.8 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 3.4100000000000001 109.327 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 168.1 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.3700000000000001 108.32 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.8 p -170.28 78.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 3.7200000000000002 109.24 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 52.54 101.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.96 111.006 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.84 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.3 OUTLIER -160.07 156.63 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.302 -0.999 . . . . 2.6099999999999999 108.302 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.22 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 11.06 109.264 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 173.6 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 9.1500000000000004 110.264 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.1 p 42.62 50.08 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 2.5600000000000001 108.27 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 3.5899999999999999 110.257 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 56' ' ' ALA . 1.4 t -116.7 -52.18 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 3.2999999999999998 110.382 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . 37.79 62.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 3.25 109.279 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 56' ' ' ALA . 0.1 OUTLIER 59.71 156.02 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.29 108.3 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.855 ' O ' HD12 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.08 -93.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.449 1.763 . . . . 2.6200000000000001 110.997 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.1 m -131.83 -2.45 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 3.3399999999999999 110.424 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' CG ' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.89 -27.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.0099999999999998 109.308 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 9' ' ' THR . 34.7 m-85 -150.98 -89.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 2.2200000000000002 110.954 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 58' ' ' PRO . 2.9 mt 46.02 94.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 3.3999999999999999 109.341 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 9.0 t -60.19 -147.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 5.5099999999999998 110.01 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.79 76.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 6.5899999999999999 109.284 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.49 40.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 3.5499999999999998 110.321 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.52 120.69 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 4.1200000000000001 109.347 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -135.48 -60.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 3.5600000000000001 110.977 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 2' ' ' HIS . 67.2 mt -41.56 109.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 2.8999999999999999 109.317 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.84 75.46 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.582 1.176 . . . . 3.8700000000000001 111.057 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.25 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 4.0700000000000003 109.265 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.5 mp0 -60.08 -148.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 6.3200000000000003 110.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.5 p 38.11 32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 7.75 110.333 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' GLU . 16.8 m -102.48 -52.28 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 7.4000000000000004 110.391 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.78 -33.06 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 10.869999999999999 110.3 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -93.53 21.62 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 10.869999999999999 110.052 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtt -39.23 -47.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 10.369999999999999 110.996 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 80' ' ' TYR . . . 148.54 42.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 12.94 110.93 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 77' ' ' GLY . 7.8 mt -110.56 -65.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 13.880000000000001 109.239 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' TYR . . . -87.14 -38.35 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 15.039999999999999 109.285 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 16.609999999999999 110.955 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.945 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.201 ' S3 ' HD12 ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 54' ' ' GLU . 6.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.031 -0.359 . . . . 7.5899999999999999 110.031 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.4 m170 69.36 137.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 7.7300000000000004 109.537 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.526 ' HB3' ' N ' ' A' ' 67' ' ' TYR . 12.9 p -36.0 152.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 2.8500000000000001 110.026 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 4' ' ' VAL . 13.5 p -135.5 10.74 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 2.5899999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -53.56 131.2 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 4.9800000000000004 109.343 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -41.74 141.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 3.8599999999999999 109.237 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 m-85 178.56 175.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 2.75 111.03 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' ' CZ2' ' A' ' 30' ' ' TRP . 4.8 p-10 -86.59 40.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 9' ' ' THR . 9.0 t -97.55 89.69 4.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.98999999999999999 110.384 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 8.7 t -149.62 149.89 31.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 1.1299999999999999 108.31 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.643 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -118.99 -40.9 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 1.3999999999999999 109.324 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' N ' HD12 ' A' ' 11' ' ' ILE . . . 136.79 43.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.425 1.078 . . . . 1.0800000000000001 111.025 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -114.96 -177.85 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.262 -1.014 . . . . 1.3899999999999999 108.262 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 46.9 p -103.81 -36.7 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 3.0099999999999998 110.355 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.873 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 0.8 OUTLIER -38.13 145.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 1.95 110.288 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.863 ' SG ' HG23 ' A' ' 17' ' ' VAL . 0.5 OUTLIER 87.63 -47.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.23 108.361 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.863 HG23 ' SG ' ' A' ' 16' ' ' CYS . 61.2 t -90.51 15.19 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.28 109.341 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -61.92 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 3.1299999999999999 110.31 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -54.54 8.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 3.04 109.346 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.47 104.52 0.36 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 1.0600000000000001 108.313 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -44.88 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 1.5900000000000001 110.93 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 ' S3 ' ' A' ' 82' ' ' SF4 . 2.1 mp -62.24 -13.52 28.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.28 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.92 63.27 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 4.1100000000000003 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.966 HG21 ' HB2' ' A' ' 47' ' ' CYS . 54.0 t -95.08 -47.89 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 1.9299999999999999 109.246 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' SG ' ' A' ' 16' ' ' CYS . 3.9 mp -63.2 94.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.87 109.364 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' SER . 39.2 mm-40 -103.09 -168.71 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 2.02 110.351 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.38 135.61 40.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 2.9100000000000001 111.004 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 40' ' ' SER . 1.0 OUTLIER -123.91 168.96 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.273 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.62 110.994 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.602 ' CZ2' ' HB2' ' A' ' 8' ' ' ASP . 32.1 t-105 -125.99 -117.2 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 1.73 108.007 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 167.61 -52.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.5099999999999998 109.329 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.62 -12.87 10.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 1.25 111.002 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.67 154.94 25.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.275 -1.009 . . . . 1.7 108.275 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -27.48 62.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 3.21 109.261 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.25 22.2 13.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.96999999999999997 109.268 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.38 39.85 29.6 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.51 1.131 . . . . 0.76000000000000001 111.005 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -145.38 122.24 11.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 0.734 . . . . 0.72999999999999998 110.333 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG22 HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.16 141.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.73999999999999999 109.337 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.3 114.01 11.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.82999999999999996 109.311 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 28' ' ' VAL . 69.6 m -159.35 169.36 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.92000000000000004 110.006 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 1.1 m -75.22 126.18 88.2 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 1.98 109.987 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 2.1600000000000001 111.021 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' C ' ' N ' ' A' ' 45' ' ' GLU . 3.6 mtp180 -140.85 10.73 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 4.1399999999999997 110.286 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 44' ' ' THR . 55.0 m 43.54 22.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 1.3500000000000001 110.376 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' N ' ' C ' ' A' ' 43' ' ' ARG . 4.7 pt-20 -44.33 -34.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 3.8900000000000001 110.295 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -100.84 -163.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 3.5299999999999998 109.261 -179.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.966 ' HB2' HG21 ' A' ' 24' ' ' VAL . 49.2 t 73.03 137.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.95 108.341 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 47' ' ' CYS . 35.9 m -157.19 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 3.8599999999999999 109.274 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.85 69.9 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.568 1.168 . . . . 1.8 110.954 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.9 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -125.08 115.61 20.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.303 -0.999 . . . . 2.1600000000000001 108.303 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 83.49 3.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 6.7300000000000004 109.306 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 1.3 mmt180 -128.75 -57.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 4.9800000000000004 110.281 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.804 ' N ' ' S1 ' ' A' ' 82' ' ' SF4 . 1.7 p -42.28 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 2.9500000000000002 108.239 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' HA ' ' CB ' ' A' ' 1' ' ' SER . 0.9 OUTLIER 29.22 65.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 5.1600000000000001 110.358 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.0 t -170.4 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 2.0299999999999998 110.331 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.91 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 40.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 2.2999999999999998 109.241 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -173.02 174.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.5 108.326 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.93 -163.89 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.518 1.799 . . . . 3.3300000000000001 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 61' ' ' PHE . 87.1 m -89.88 -10.95 43.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 3.5699999999999998 110.397 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -29.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 3.04 109.338 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.539 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 4.9 m-85 -121.3 -64.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 3.1499999999999999 110.999 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 HD22 ' OG ' ' A' ' 3' ' ' SER . 41.6 mt -42.37 122.14 2.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 2.9399999999999999 109.249 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 m -140.19 -58.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 4.3300000000000001 110.038 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.2 mm -47.09 -74.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 7.5099999999999998 109.326 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HD2' ' CG ' ' A' ' 5' ' ' LYS . 38.5 mtt-85 -93.49 133.27 36.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 4.75 110.301 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 ' O ' HG12 ' A' ' 66' ' ' VAL . 90.6 t -123.94 37.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 6.7800000000000002 109.31 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' N ' ' HB3' ' A' ' 3' ' ' SER . 2.8 p90 -143.17 155.48 44.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 7.5800000000000001 111.034 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.82 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.167 . . . . 5.0800000000000001 109.331 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' GLU . . . -46.41 -23.13 1.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.125 . . . . 7.9000000000000004 110.959 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.451 ' O ' HG23 ' A' ' 72' ' ' THR . . . 67.29 -69.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 4.46 109.305 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.879 ' HG2' HG22 ' A' ' 73' ' ' THR . 0.4 OUTLIER 63.49 -85.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.172 . . . . 6.9000000000000004 110.312 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 70' ' ' ALA . 20.4 p 38.37 30.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.558 1.161 . . . . 7.4299999999999997 110.417 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.879 HG22 ' HG2' ' A' ' 71' ' ' GLU . 4.1 t -117.5 -33.64 4.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 10.279999999999999 110.438 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -88.74 -25.0 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 15.4 110.274 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -122.38 1.26 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 9.1099999999999994 110.002 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 72' ' ' THR . 0.0 OUTLIER 68.44 -59.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 11.57 111.007 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 80' ' ' TYR . . . 163.29 -27.55 0.23 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.474 1.109 . . . . 11.84 111.067 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -107.31 -47.48 3.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 13.109999999999999 109.309 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -39.06 -31.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 12.529999999999999 109.324 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 16.41 110.988 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S1 ' ' O ' ' A' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.9 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.997 -0.372 . . . . 7.7300000000000004 109.997 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 54' ' ' GLU . 10.8 m170 61.02 -178.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 6.79 109.609 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.553 ' H ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER 81.24 163.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 2.1800000000000002 110.004 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' LYS . 2.8 p -144.07 -47.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 2.8599999999999999 109.305 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 4.2 tptp 39.44 -160.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 3.3799999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 4.3 mp -111.54 102.09 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 2.5 109.286 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 21.9 m-85 -142.18 149.5 39.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 2.3599999999999999 110.974 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.645 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 1.2 p-10 -88.63 45.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 2.4500000000000002 109.312 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 61' ' ' PHE . 1.9 t -95.73 89.1 5.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 1.3 110.352 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 13.5 t -153.81 143.08 21.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0900000000000001 108.34 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.1 pp -117.14 -37.27 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 1.98 109.299 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 46.14 0.19 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 1.27 110.986 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -103.69 -174.64 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.317 -0.994 . . . . 1.5700000000000001 108.317 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.9 p -117.99 68.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 3.5899999999999999 110.427 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.548 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 2.9 tt0 -156.26 136.62 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 2.52 110.254 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 90.15 -39.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.94999999999999996 108.3 179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 39' ' ' ALA . 11.9 t -86.74 13.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.072 . . . . 1.21 109.345 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.33 -41.72 2.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 3.2400000000000002 110.35 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.23 87.55 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 2.1899999999999999 109.285 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.469 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 42.7 t -178.42 86.5 0.22 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.3400000000000001 108.269 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' CD ' ' HG3' ' A' ' 52' ' ' ARG . 18.6 Cg_endo -75.0 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.482 1.78 . . . . 1.6200000000000001 111.019 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.89 HD12 ' H ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -61.54 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 2.6200000000000001 109.243 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 2.5 m-20 156.4 99.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 4.3300000000000001 109.253 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.196 HG21 ' S2 ' ' A' ' 82' ' ' SF4 . 25.0 t -141.51 -79.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 3.1299999999999999 109.278 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 16' ' ' CYS . 1.2 mp -65.11 75.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 1.77 109.308 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mm-40 -102.04 -174.9 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 2.54 110.315 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.64 125.79 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.1400000000000001 110.994 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.013 HG22 ' O ' ' A' ' 38' ' ' ILE . 2.5 m -125.74 165.95 23.95 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.68999999999999995 109.297 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.91000000000000003 110.926 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.645 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 60.8 t-105 -135.87 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.6299999999999999 108.026 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 t70 -136.6 60.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.561 1.163 . . . . 2.4500000000000002 109.293 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.07 -33.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.411 1.07 . . . . 1.3500000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 163.8 27.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.239 -1.023 . . . . 1.3600000000000001 108.239 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -22.44 64.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 4.2300000000000004 109.291 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.96 20.19 14.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 1.3200000000000001 109.346 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 45.39 53.17 8.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.21 110.984 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -152.52 121.58 6.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.577 0.81 . . . . 1.01 110.309 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.013 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -98.18 135.78 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.55000000000000004 109.319 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 17' ' ' VAL . . . -73.67 106.52 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.5 109.378 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -158.06 -178.41 7.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0800000000000001 110.002 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -76.7 119.28 76.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 3.3399999999999999 109.978 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.502 1.79 . . . . 1.8500000000000001 111.017 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLU . 92.9 mtt180 -147.6 13.58 1.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 4.4000000000000004 110.32 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 44' ' ' THR . 38.1 m 39.78 26.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 1.0900000000000001 110.391 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . 6.1 pt-20 -53.13 -34.78 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 3.4300000000000002 110.315 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -98.41 -159.07 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 3.8199999999999998 109.246 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.89 ' H ' HD12 ' A' ' 22' ' ' LEU . 42.5 t 73.69 132.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 1.8799999999999999 108.279 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 m -136.61 31.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 4.25 109.274 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.55 69.19 1.41 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 1.7 111.048 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.902 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.0 OUTLIER -114.81 147.77 39.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.281 -1.007 . . . . 2.2599999999999998 108.281 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -101.34 96.49 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 6.3700000000000001 109.291 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG3' ' CD ' ' A' ' 21' ' ' PRO . 7.9 mmt85 -145.27 -61.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 6.3300000000000001 110.33 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.671 ' O ' HG22 ' A' ' 55' ' ' THR . 3.1 p -41.87 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 2.6400000000000001 108.267 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 2' ' ' HIS . 0.3 OUTLIER 37.71 37.92 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 4.7300000000000004 110.274 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 53' ' ' CYS . 8.8 t -165.4 46.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 2.2400000000000002 110.367 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 62' ' ' LEU . . . -86.06 64.87 8.82 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 2.4700000000000002 109.347 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 75.72 173.34 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 1.5800000000000001 108.307 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -161.81 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 2.9500000000000002 110.924 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -84.48 -7.89 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 3.52 110.394 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -26.6 2.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 3.8700000000000001 109.258 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 9' ' ' THR . 0.5 OUTLIER -127.58 -46.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 3.8799999999999999 110.984 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 56' ' ' ALA . 42.0 mt -55.86 113.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.568 1.167 . . . . 3.2000000000000002 109.284 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.7 p 169.24 -38.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 3.7599999999999998 110.002 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.0 mm -47.05 -83.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 5.6500000000000004 109.355 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.72 115.34 30.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 4.2699999999999996 110.306 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 70' ' ' ALA . 92.1 t -89.89 131.47 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 3.2999999999999998 109.259 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.567 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -126.69 -71.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 3.7200000000000002 111.026 179.943 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 3' ' ' SER . 21.8 mt -40.24 -64.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 3.2000000000000002 109.234 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.34 67.28 3.11 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.414 1.071 . . . . 4.9800000000000004 110.976 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.671 ' HB2' HG12 ' A' ' 66' ' ' VAL . . . -165.43 -54.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 0.811 . . . . 3.7999999999999998 109.33 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -28.66 65.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 6.2300000000000004 110.285 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 p -79.33 48.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 8.4100000000000001 110.434 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -129.74 -47.39 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.594 1.184 . . . . 9.6600000000000001 110.467 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.734 ' O ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -115.4 -14.78 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 10.19 110.366 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.17 8.2 29.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 8.2100000000000009 110.007 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -101.85 -35.63 8.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 13.199999999999999 110.977 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.716 ' C ' HD23 ' A' ' 78' ' ' LEU . . . -88.44 29.1 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 13.460000000000001 111.005 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 74' ' ' ARG . 3.5 mt -108.31 -65.49 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 13.630000000000001 109.332 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.2 -57.12 2.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 16.140000000000001 109.316 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 76' ' ' MET . 16.9 p90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 17.440000000000001 111.043 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.609 ' S3 ' HG13 ' A' ' 11' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.196 ' S2 ' HG21 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.973 -0.38 . . . . 5.96 109.973 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.512 ' CA ' HD12 ' A' ' 68' ' ' LEU . 3.5 m80 -134.28 167.39 20.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 6.0300000000000002 109.535 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' HIS . 18.1 p -36.0 141.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 2.5099999999999998 109.99 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 4' ' ' VAL . 14.8 p -114.35 44.6 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.1699999999999999 109.346 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -52.93 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 2.96 109.354 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 41' ' ' SER . 4.8 mp -93.63 76.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 2.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.99 169.0 9.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 3.0899999999999999 110.966 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB3' ' CZ3' ' A' ' 30' ' ' TRP . 3.1 p30 -91.26 36.22 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 2.0699999999999998 109.302 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.815 HG21 ' HG ' ' A' ' 62' ' ' LEU . 1.8 t -86.11 92.76 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.39 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 19.3 t -158.86 149.68 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 108.312 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.597 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.2 pp -116.27 -33.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 1.4099999999999999 109.27 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.74 39.67 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 1.1799999999999999 110.967 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.731 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -118.36 175.76 5.56 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.321 -0.992 . . . . 1.4199999999999999 108.321 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.457 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 77.1 p -132.63 60.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 3.3300000000000001 110.379 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' NE2' ' S1 ' ' A' ' 81' ' ' SF4 . 14.3 pt20 -99.24 -48.08 4.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 3.0299999999999998 110.396 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' HD22 ' A' ' 25' ' ' LEU . 8.2 p -86.94 18.74 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.82999999999999996 108.295 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.5 t -123.07 8.14 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.26 109.359 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.56 -52.34 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.3500000000000001 110.27 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 51' ' ' LYS . . . -82.71 78.32 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 1.5700000000000001 109.248 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.788 ' HA ' ' S1 ' ' A' ' 82' ' ' SF4 . 9.6 t -160.7 95.84 1.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.3 108.294 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 1.71 111.035 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.676 ' HB2' ' S3 ' ' A' ' 82' ' ' SF4 . 3.9 mp -52.86 -34.81 56.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.9199999999999999 109.335 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 22' ' ' LEU . 9.3 t0 81.99 55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 3.4300000000000002 109.313 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' SG ' ' A' ' 20' ' ' CYS . 12.6 p -96.77 -35.76 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.2799999999999998 109.277 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.025 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 1.5 mp -78.02 104.74 8.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0900000000000001 109.308 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.3 mm-40 -130.12 -168.74 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 3.0 110.319 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.8 138.01 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 3.1699999999999999 110.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.7 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -124.62 176.32 2.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.46000000000000002 109.272 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.759 . . . . 0.60999999999999999 110.985 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.616 ' CZ3' ' HB3' ' A' ' 8' ' ' ASP . 58.9 t-105 -140.18 173.95 11.0 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.01 -1.107 . . . . 1.24 108.01 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 5.4 t70 -140.52 61.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 2.0299999999999998 109.218 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.21 -33.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.436 1.085 . . . . 0.88 111.032 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 169.39 15.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.287 -1.005 . . . . 1.1399999999999999 108.287 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -21.31 66.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 3.25 109.31 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.35 23.32 11.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.402 1.064 . . . . 1.02 109.374 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . 43.07 52.0 5.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.90000000000000002 111.022 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.17 120.24 7.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.91000000000000003 110.346 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.7 HG22 HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -96.78 133.71 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.77000000000000002 109.297 -179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' GLU . . . -73.21 103.98 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.58999999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.674 ' HB2' HG11 ' A' ' 28' ' ' VAL . 60.5 m -140.14 176.57 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.413 1.071 . . . . 0.92000000000000004 110.046 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG1' ' A' ' 6' ' ' ILE . 15.7 m -116.44 93.28 39.52 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 2.1099999999999999 110.033 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -52.37 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.403 1.739 . . . . 1.75 110.99 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -97.18 79.15 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.489 1.118 . . . . 3.3100000000000001 110.301 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 44' ' ' THR . 22.8 m -86.86 21.42 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 1.02 110.424 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -50.74 -25.53 4.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 3.5099999999999998 110.296 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 47' ' ' CYS . 1.8 m-20 -132.7 100.6 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 3.6400000000000001 109.305 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.443 ' SG ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER 163.42 144.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.79 108.325 -179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' VAL . 15.0 p -174.13 66.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 4.9400000000000004 109.315 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.552 ' CA ' ' S4 ' ' A' ' 82' ' ' SF4 . . . 58.84 108.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 2.6800000000000002 110.979 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.85 ' N ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.6 OUTLIER -153.56 -173.78 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.354 -0.98 . . . . 2.7799999999999998 108.354 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 14.8 tptt 43.64 -97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 13.06 109.317 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 175.25 49.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 6.96 110.336 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.539 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -52.88 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 2.75 108.29 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 53' ' ' CYS . 3.9 mt-10 27.43 61.8 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 4.3099999999999996 110.246 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.8 t -168.93 36.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 2.2200000000000002 110.439 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.818 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . -59.04 -73.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 2.1800000000000002 109.303 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.708 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER 167.49 78.1 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 3.0800000000000001 108.253 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 139.88 24.63 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.467 1.772 . . . . 5.3799999999999999 110.925 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' C ' ' A' ' 60' ' ' ASP . 48.2 m 69.63 -56.91 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 3.7999999999999998 110.447 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -32.8 -41.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.397 1.061 . . . . 5.4500000000000002 109.273 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CZ ' ' OD1' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -160.2 -49.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 3.1099999999999999 111.007 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.815 ' HG ' HG21 ' A' ' 9' ' ' THR . 3.2 mt -37.54 131.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 2.8999999999999999 109.314 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.764 ' O ' HG23 ' A' ' 64' ' ' ILE . 17.1 m -96.72 -89.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 4.4500000000000002 110.011 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 63' ' ' SER . 3.8 pt -161.18 130.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 6.1699999999999999 109.269 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 mmp_? -143.17 -43.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 4.4500000000000002 110.323 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 65' ' ' ARG . 91.7 t 67.13 95.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 3.6699999999999999 109.321 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 3' ' ' SER . 1.4 m-85 -149.54 -44.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 4.0499999999999998 110.982 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 2' ' ' HIS . 4.9 mt -38.45 -55.6 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 3.3100000000000001 109.272 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 77.52 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 4.2000000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . . . -169.58 -52.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 4.0899999999999999 109.298 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -38.56 -65.71 0.33 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 7.1100000000000003 110.337 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 72' ' ' THR . 9.7 t -170.11 52.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 6.9400000000000004 110.436 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -80.49 -42.83 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 9.5299999999999994 110.378 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -17.96 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 10.699999999999999 110.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.877 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -89.74 -5.0 57.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 8.75 109.983 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.25 106.28 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 11.960000000000001 111.027 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.603 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . 96.29 -1.93 62.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.448 1.093 . . . . 13.34 110.963 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -112.18 -33.84 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.756 . . . . 12.17 109.312 179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.892 ' N ' HD13 ' A' ' 78' ' ' LEU . . . -121.11 -32.23 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 12.029999999999999 109.295 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 77' ' ' GLY . 59.0 m-85 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 17.199999999999999 110.985 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.972 ' S1 ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 1.025 ' S2 ' HD11 ' A' ' 25' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.008 -0.367 . . . . 6.8099999999999996 110.008 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . 1.1 p-80 -159.88 165.12 32.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 6.2999999999999998 109.584 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' HIS . 52.9 p 60.3 146.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 3.4700000000000002 109.954 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 68' ' ' LEU . 12.8 p -175.45 55.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.405 1.066 . . . . 2.2799999999999998 109.326 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HE3' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -88.03 -175.16 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 4.0300000000000002 109.233 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . 4.5 mp -77.26 66.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 2.0899999999999999 109.303 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' HD23 ' A' ' 62' ' ' LEU . 3.3 m-85 -108.89 163.18 13.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.25 111.024 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.668 ' CG ' ' CH2' ' A' ' 30' ' ' TRP . 2.0 p-10 -89.3 42.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.599 1.187 . . . . 2.75 109.365 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.91 ' O ' ' S2 ' ' A' ' 81' ' ' SF4 . 12.7 t -91.72 96.74 10.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 1.01 110.421 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' HB3' ' CD1' ' A' ' 38' ' ' ILE . 7.1 t -157.81 139.98 14.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.71999999999999997 108.326 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.689 HG13 ' S3 ' ' A' ' 81' ' ' SF4 . 2.3 pp -116.21 -8.46 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.3300000000000001 109.319 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.25 -2.0 14.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 1.6299999999999999 110.965 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.722 ' O ' ' S4 ' ' A' ' 81' ' ' SF4 . 0.0 OUTLIER -78.65 169.18 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.336 -0.987 . . . . 1.3 108.336 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -132.62 76.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 2.8799999999999999 110.38 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.842 ' HG2' ' S1 ' ' A' ' 81' ' ' SF4 . 13.5 pt20 -114.15 -47.31 2.95 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.532 1.145 . . . . 2.9199999999999999 110.281 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' O ' HD22 ' A' ' 25' ' ' LEU . 13.9 p -82.94 12.79 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.435 1.084 . . . . 1.0900000000000001 108.261 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.6 t -119.59 7.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.24 109.279 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -59.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 2.5099999999999998 110.322 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.51 -52.97 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 2.6299999999999999 109.327 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' SG ' HG12 ' A' ' 24' ' ' VAL . 34.0 t -42.69 110.75 0.9 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 1.45 108.256 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.546 ' HD2' ' S1 ' ' A' ' 82' ' ' SF4 . 18.4 Cg_endo -75.01 -41.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 1.8999999999999999 111.021 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' CB ' ' S3 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -58.12 -33.62 69.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 2.0299999999999998 109.303 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 72.0 64.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 4.4100000000000001 109.325 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG11 ' SG ' ' A' ' 47' ' ' CYS . 9.2 p -112.03 -47.15 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 2.5800000000000001 109.29 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD11 ' S2 ' ' A' ' 82' ' ' SF4 . 2.9 mp -49.1 104.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.1699999999999999 109.311 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 1.3 mt-10 -115.38 -167.64 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.2200000000000002 110.349 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 133.44 37.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 3.0299999999999998 110.955 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -125.85 168.78 12.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.62 109.308 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 117.02 4.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.67000000000000004 111.016 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 8' ' ' ASP . 30.3 t-105 -125.83 -115.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.8400000000000001 108.051 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 0.7 OUTLIER 166.89 -53.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 2.23 109.347 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.42 -11.48 9.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.545 1.153 . . . . 1.5700000000000001 111.046 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -81.25 155.33 26.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.324 -0.991 . . . . 1.77 108.324 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -57.34 -27.18 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 4.3600000000000003 109.386 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.98 23.16 12.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.1499999999999999 109.318 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' A' ' 31' ' ' ASP . . . 49.81 37.66 28.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.93999999999999995 111.006 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -143.08 119.85 11.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.67000000000000004 110.328 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -96.35 142.7 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.87 109.272 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.77 106.63 9.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.66000000000000003 109.294 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' GLU . 38.1 m -147.77 -177.89 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 1.03 110.004 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -120.2 103.94 44.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 2.73 110.023 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 43' ' ' ARG . 18.4 Cg_endo -75.07 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 1.8 111.029 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 42' ' ' PRO . 7.4 mmp_? -95.63 80.38 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 3.52 110.26 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 44' ' ' THR . 87.3 m -87.28 26.21 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 1.04 110.427 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.02 -21.65 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 3.5699999999999998 110.343 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -152.21 90.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.7199999999999998 109.256 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.732 ' O ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -176.59 167.34 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 2.4399999999999999 108.324 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 91.16 -27.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 8.5 109.26 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.15 -9.92 24.8 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.441 1.088 . . . . 2.2400000000000002 111.032 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.919 ' O ' ' S4 ' ' A' ' 82' ' ' SF4 . 0.1 OUTLIER -124.33 119.79 30.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.349 -0.982 . . . . 2.8900000000000001 108.349 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 65.93 7.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 6.75 109.329 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' HB2' ' S1 ' ' A' ' 82' ' ' SF4 . 0.9 OUTLIER -105.14 -49.36 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 4.7699999999999996 110.364 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.019 ' O ' HG23 ' A' ' 55' ' ' THR . 1.2 p -42.74 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 2.3599999999999999 108.305 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' CYS . 2.9 mt-10 37.51 45.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 3.96 110.298 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 1.019 HG23 ' O ' ' A' ' 53' ' ' CYS . 17.7 p -135.85 -82.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 3.52 110.353 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.725 ' O ' ' S1 ' ' A' ' 81' ' ' SF4 . . . 68.59 -65.2 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 2.5 109.329 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER 173.78 156.57 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 1.1899999999999999 108.3 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 54.73 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 2.2000000000000002 111.007 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.598 HG22 ' H ' ' A' ' 60' ' ' ASP . 2.3 m 61.66 -157.93 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 2.9199999999999999 110.411 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 59' ' ' THR . 4.8 t0 83.85 -45.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 3.5800000000000001 109.274 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' ' HA ' ' A' ' 9' ' ' THR . 0.4 OUTLIER -98.7 -58.21 2.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.51 1.131 . . . . 2.54 111.019 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.765 HD11 HG21 ' A' ' 9' ' ' THR . 2.0 mt -65.18 133.31 51.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 3.21 109.298 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -90.61 37.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 4.1399999999999997 110.004 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 33.77 82.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 8.0999999999999996 109.281 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.541 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -94.99 21.72 7.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 3.8500000000000001 110.295 179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 m 39.91 87.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.6 1.187 . . . . 3.79 109.324 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 65' ' ' ARG . 17.1 m-85 -115.78 -72.2 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 5.0599999999999996 111.011 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' CD2' HG12 ' A' ' 4' ' ' VAL . 1.7 mm? -49.25 131.85 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 2.8500000000000001 109.311 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.95 56.74 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 3.7799999999999998 111.023 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . . . -148.34 -44.67 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.531 0.783 . . . . 3.8300000000000001 109.208 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' O ' HG22 ' A' ' 72' ' ' THR . 2.2 mm-40 -56.21 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 6.9500000000000002 110.304 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.755 HG22 ' O ' ' A' ' 71' ' ' GLU . 15.0 t 50.4 20.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 6.3600000000000003 110.433 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.5 t -117.61 -31.52 5.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 9.4399999999999995 110.43 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -68.05 -33.63 74.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 12.85 110.228 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -129.88 9.99 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 11.34 110.067 179.921 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' A' ' 75' ' ' SER . 29.0 ttm 65.6 -59.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 11.279999999999999 111.051 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' SER . . . 179.65 42.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 10.630000000000001 110.996 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -106.62 -37.32 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 0.73 . . . . 13.699999999999999 109.346 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' CB ' HD13 ' A' ' 78' ' ' LEU . . . -155.93 -53.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 12.76 109.313 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 75' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 18.190000000000001 110.943 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SF4 . . . . . 0.91 ' S2 ' ' O ' ' A' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' SF4 . . . . . 0.919 ' S4 ' ' O ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_